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

Systemtic Name: 2-chloranyl-5-[2-[3-[(3-nitrophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[3-[(3-nitrobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[[3-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[3-[(3-nitrobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[[3-[(3-nitrobenzoyl)amino]phenyl]thio]butanoylamino]benzoic acid Formula: C24H20ClN3O6S MolecularWeight: 513.9501

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H20ClN3O6S/c1-2-21(23(30)27-16-9-10-20(25)19(13-16)24(31)32)35-18-8-4-6-15(12-18)26-22(29)14-5-3-7-17(11-14)28(33)34/h3-13,21H,2H2,1H3,(H,26,29)(H,27,30)(H,31,32)