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

Systemtic Name: 3-[2-[3-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[3-[(4-nitrobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[2-[[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-[3-[(4-nitrobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[[3-[(4-nitrobenzoyl)amino]phenyl]thio]butanoylamino]benzoic acid Formula: C24H21N3O6S MolecularWeight: 479.50504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O6S/c1-2-21(23(29)26-17-6-3-5-16(13-17)24(30)31)34-20-8-4-7-18(14-20)25-22(28)15-9-11-19(12-10-15)27(32)33/h3-14,21H,2H2,1H3,(H,25,28)(H,26,29)(H,30,31)