4BV

N-(1,3-dimethyl-2-oxo-6-{3-[(3S)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-imidazole-4-sulfonamide

Created:2015-02-25
Last modified:  2015-06-24

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count1
Bond Count67
Aromatic Bond Count17
2D diagram of 4BV

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

NameN-(1,3-dimethyl-2-oxo-6-{3-[(3S)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-imidazole-4-sulfonamide
Systematic Name (OpenEye OEToolkits)N-[1,3-dimethyl-2-oxidanylidene-6-[3-[[(3S)-oxolan-3-yl]methoxy]phenoxy]benzimidazol-5-yl]-1-methyl-imidazole-4-sulfonamide
FormulaC24 H27 N5 O6 S
Molecular Weight513.566
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1ncn(c1)C)Nc4cc5c(cc4Oc3cc(OCC2CCOC2)ccc3)N(C(=O)N5C)C
SMILESCACTVS3.385Cn1cnc(c1)[S](=O)(=O)Nc2cc3N(C)C(=O)N(C)c3cc2Oc4cccc(OC[CH]5CCOC5)c4
SMILESOpenEye OEToolkits1.9.2Cn1cc(nc1)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OCC5CCOC5)N(C(=O)N3C)C
Canonical SMILESCACTVS3.385 Cn1cnc(c1)[S](=O)(=O)Nc2cc3N(C)C(=O)N(C)c3cc2Oc4cccc(OC[C@H]5CCOC5)c4
Canonical SMILESOpenEye OEToolkits1.9.2 Cn1cc(nc1)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OC[C@H]5CCOC5)N(C(=O)N3C)C
InChIInChI1.03 InChI=1S/C24H27N5O6S/c1-27-12-23(25-15-27)36(31,32)26-19-10-20-21(29(3)24(30)28(20)2)11-22(19)35-18-6-4-5-17(9-18)34-14-16-7-8-33-13-16/h4-6,9-12,15-16,26H,7-8,13-14H2,1-3H3/t16-/m0/s1
InChIKeyInChI1.03 XUYARXQUNNANMN-INIZCTEOSA-N

Related Resource References

Resource NameReference
PubChem 91808038