5-[2-[3-[(3-chlorophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[3-[(3-chlorophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[3-[(3-chlorobenzoyl)amino]phenyl]sulfanylbutanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[3-[[(3-chlorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[3-[(3-chlorobenzoyl)amino]phenyl]sulfanylbutanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[[3-[(3-chlorobenzoyl)amino]phenyl]thio]butanoylamino]-2-hydroxy-benzoic acid Formula: C24H21ClN2O5S MolecularWeight: 484.95194

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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(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClN2O5S/c1-2-21(23(30)27-17-9-10-20(28)19(13-17)24(31)32)33-18-8-4-7-16(12-18)26-22(29)14-5-3-6-15(25)11-14/h3-13,21,28H,2H2,1H3,(H,26,29)(H,27,30)(H,31,32)