[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-5-nitro-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-5-nitro-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[benzyl(p-tolylsulfonyl)amino]-5-nitro-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-5-nitrophenyl] ester IUPAC Name: [2-[benzyl-(4-methylphenyl)sulfonylamino]-5-nitrophenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[benzyl(tosyl)amino]-5-nitro-phenyl] ester Formula: C27H24N2O7S2 MolecularWeight: 552.61866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H24N2O7S2/c1-20-8-13-24(14-9-20)37(32,33)28(19-22-6-4-3-5-7-22)26-17-12-23(29(30)31)18-27(26)36-38(34,35)25-15-10-21(2)11-16-25/h3-18H,19H2,1-2H3