[2-[(4-methylphenyl)sulfonylamino]-5-nitro-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(4-methylphenyl)sulfonylamino]-5-nitro-phenyl] 4-methylbenzenesulfonate Openeye Name: [5-nitro-2-(p-tolylsulfonylamino)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(4-methylphenyl)sulfonylamino]-5-nitrophenyl] ester IUPAC Name: [2-[(4-methylphenyl)sulfonylamino]-5-nitrophenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-nitro-2-(tosylamino)phenyl] ester Formula: C20H18N2O7S2 MolecularWeight: 462.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H18N2O7S2/c1-14-3-8-17(9-4-14)30(25,26)21-19-12-7-16(22(23)24)13-20(19)29-31(27,28)18-10-5-15(2)6-11-18/h3-13,21H,1-2H3