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

Systemtic Name: methyl 4-[2-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-nitro-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 4-[[2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-nitro-N-tosyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C23H21N3O7S MolecularWeight: 483.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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