5-[2-[3-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[3-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]-2-hydroxybenzoic acid Traditional Name: 2-hydroxy-5-[2-[[3-(veratroylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C26H26N2O7S MolecularWeight: 510.55884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H26N2O7S/c1-4-23(25(31)28-17-9-10-20(29)19(14-17)26(32)33)36-18-7-5-6-16(13-18)27-24(30)15-8-11-21(34-2)22(12-15)35-3/h5-14,23,29H,4H2,1-3H3,(H,27,30)(H,28,31)(H,32,33)