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

Systemtic Name: methyl 3-[2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[N-(benzenesulfonyl)-3-nitro-anilino]acetyl]amino]benzoate CAS Name: 3-[[2-[N-(benzenesulfonyl)-3-nitroanilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[N-(benzenesulfonyl)-3-nitroanilino]acetyl]amino]benzoate Traditional Name: 3-[[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=C1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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