[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [4-[methyl(p-tolylsulfonyl)amino]phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] ester IUPAC Name: [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [4-[methyl(tosyl)amino]phenyl] ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6S/c1-15-4-11-20(12-5-15)31(28,29)23(3)18-7-9-19(10-8-18)30-22(25)17-6-13-21(24(26)27)16(2)14-17/h4-14H,1-3H3