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

Systemtic Name: methyl 2-[2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[N-(benzenesulfonyl)-3-nitro-anilino]acetyl]amino]benzoate CAS Name: 2-[[2-[N-(benzenesulfonyl)-3-nitroanilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[N-(benzenesulfonyl)-3-nitroanilino]acetyl]amino]benzoate Traditional Name: 2-[[2-(N-besyl-3-nitro-anilino)acetyl]amino]benzoic acid methyl ester Formula: C22H19N3O7S MolecularWeight: 469.46716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O7S/c1-32-22(27)19-12-5-6-13-20(19)23-21(26)15-24(16-8-7-9-17(14-16)25(28)29)33(30,31)18-10-3-2-4-11-18/h2-14H,15H2,1H3,(H,23,26)