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

Systemtic Name: methyl 2-methyl-3-[2-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-methyl-3-[[2-[3-nitro-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 2-methyl-3-[[2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[[2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)acetyl]amino]benzoate Traditional Name: 2-methyl-3-[[2-(3-nitro-N-tosyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C24H23N3O7S MolecularWeight: 497.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC(=C2C)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=CC(=C2C)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O7S/c1-16-10-12-20(13-11-16)35(32,33)26(18-6-4-7-19(14-18)27(30)31)15-23(28)25-22-9-5-8-21(17(22)2)24(29)34-3/h4-14H,15H2,1-3H3,(H,25,28)