methyl 2,5-dimethyl-3-[(4-methylphenyl)sulfonyl-(2-nitrophenyl)amino]benzoate

Systemtic Name: methyl 2,5-dimethyl-3-[(4-methylphenyl)sulfonyl-(2-nitrophenyl)amino]benzoate Openeye Name: methyl 2,5-dimethyl-3-[2-nitro-N-(p-tolylsulfonyl)anilino]benzoate CAS Name: 2,5-dimethyl-3-(N-(4-methylphenyl)sulfonyl-2-nitroanilino)benzoic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-3-(N-(4-methylphenyl)sulfonyl-2-nitroanilino)benzoate Traditional Name: 2,5-dimethyl-3-(2-nitro-N-tosyl-anilino)benzoic acid methyl ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O6S/c1-15-9-11-18(12-10-15)32(29,30)24(20-7-5-6-8-21(20)25(27)28)22-14-16(2)13-19(17(22)3)23(26)31-4/h5-14H,1-4H3