2-[2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[N-(benzenesulfonyl)-4-nitro-anilino]acetyl]amino]benzoic acid CAS Name: 2-[[2-[N-(benzenesulfonyl)-4-nitroanilino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]amino]benzoic acid Traditional Name: 2-[[2-(N-besyl-4-nitro-anilino)acetyl]amino]benzoic acid Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O7S/c25-20(22-19-9-5-4-8-18(19)21(26)27)14-23(15-10-12-16(13-11-15)24(28)29)32(30,31)17-6-2-1-3-7-17/h1-13H,14H2,(H,22,25)(H,26,27)