4QH

3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide

Created: 2015-05-11
Last modified:  2015-06-17

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Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count0
Bond Count63
Aromatic Bond Count18
2D diagram of 4QH
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Chemical Component Summary

Name3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide
Systematic Name (OpenEye OEToolkits)3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl]benzenesulfonamide
FormulaC24 H25 N3 O7 S
Molecular Weight499.536
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01COc1cc(ccc1OC)S(=O)(Nc3cc2c(N(C(N2C)=O)C)cc3Oc4ccc(OC)cc4)=O
SMILESCACTVS3.385COc1ccc(Oc2cc3N(C)C(=O)N(C)c3cc2N[S](=O)(=O)c4ccc(OC)c(OC)c4)cc1
SMILESOpenEye OEToolkits1.9.2CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccc(c(c4)OC)OC
Canonical SMILESCACTVS3.385 COc1ccc(Oc2cc3N(C)C(=O)N(C)c3cc2N[S](=O)(=O)c4ccc(OC)c(OC)c4)cc1
Canonical SMILESOpenEye OEToolkits1.9.2 CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccc(c(c4)OC)OC
InChIInChI1.03 InChI=1S/C24H25N3O7S/c1-26-19-13-18(25-35(29,30)17-10-11-21(32-4)23(12-17)33-5)22(14-20(19)27(2)24(26)28)34-16-8-6-15(31-3)7-9-16/h6-14,25H,1-5H3
InChIKeyInChI1.03 KNVIUMWNYXDULF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3769965
PubChem 50796983
ChEMBL CHEMBL3769965