[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-[methyl(p-tolylsulfonyl)amino]phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] ester IUPAC Name: [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-[methyl(tosyl)amino]phenyl] ester Formula: C21H20N2O7S2 MolecularWeight: 476.5227

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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)OS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7S2/c1-15-4-12-20(13-5-15)31(26,27)22(3)17-8-10-19(11-9-17)30-32(28,29)21-14-18(23(24)25)7-6-16(21)2/h4-14H,1-3H3