2-[2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: 2-[2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: 2-[[2-[N-(benzenesulfonyl)-3-nitro-anilino]acetyl]amino]benzoate CAS Name: 2-[[2-[N-(benzenesulfonyl)-3-nitroanilino]-1-oxoethyl]amino]benzoate IUPAC Name: 2-[[2-[N-(benzenesulfonyl)-3-nitroanilino]acetyl]amino]benzoate Traditional Name: 2-[[2-(N-besyl-3-nitro-anilino)acetyl]amino]benzoate Formula: C21H16N3O7S- MolecularWeight: 454.43264

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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(=CC=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(=CC=C3)[N+](=O)[O-]

InChI

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