methyl 4-methyl-3-[2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[N-(benzenesulfonyl)-3-nitro-anilino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[N-(benzenesulfonyl)-3-nitroanilino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[N-(benzenesulfonyl)-3-nitroanilino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(N-besyl-3-nitro-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C23H21N3O7S MolecularWeight: 483.49374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O7S/c1-16-11-12-17(23(28)33-2)13-21(16)24-22(27)15-25(18-7-6-8-19(14-18)26(29)30)34(31,32)20-9-4-3-5-10-20/h3-14H,15H2,1-2H3,(H,24,27)