N73

(2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide

Created: 2014-12-19
Last modified:  2019-05-17

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Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count1
Bond Count53
Aromatic Bond Count12
2D diagram of N73

Chemical Component Summary

Name(2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide
Systematic Name (OpenEye OEToolkits)(2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide
FormulaC20 H24 N2 O5 S
Molecular Weight404.48
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC(C)ON([CH](C(C)C)C(=O)N=O)[S](=O)(=O)c1ccc(cc1)c2ccccc2
SMILESOpenEye OEToolkits2.0.7CC(C)C(C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2
Canonical SMILESCACTVS3.385 CC(C)ON([C@H](C(C)C)C(=O)N=O)[S](=O)(=O)c1ccc(cc1)c2ccccc2
Canonical SMILESOpenEye OEToolkits2.0.7 CC(C)[C@H](C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2
InChIInChI1.03 InChI=1S/C20H24N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19H,1-4H3/t19-/m1/s1
InChIKeyInChI1.03 JYURKDGMICGTJM-LJQANCHMSA-N

Related Resource References

Resource NameReference
PubChem 138753324