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

Systemtic Name: 5-[2-[3-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-[3-[(4-nitrobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[3-[(4-nitrobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 2-hydroxy-5-[2-[[3-[(4-nitrobenzoyl)amino]phenyl]thio]butanoylamino]benzoic acid Formula: C24H21N3O7S MolecularWeight: 495.50444

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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)[N+](=O)[O-]

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)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O7S/c1-2-21(23(30)26-16-8-11-20(28)19(13-16)24(31)32)35-18-5-3-4-15(12-18)25-22(29)14-6-9-17(10-7-14)27(33)34/h3-13,21,28H,2H2,1H3,(H,25,29)(H,26,30)(H,31,32)