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

Systemtic Name: [2-[(4-methylphenyl)sulfonylamino]-5-nitro-phenyl] benzenesulfonate Openeye Name: [5-nitro-2-(p-tolylsulfonylamino)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(4-methylphenyl)sulfonylamino]-5-nitrophenyl] ester IUPAC Name: [2-[(4-methylphenyl)sulfonylamino]-5-nitrophenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [5-nitro-2-(tosylamino)phenyl] ester Formula: C19H16N2O7S2 MolecularWeight: 448.46954

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O7S2/c1-14-7-10-16(11-8-14)29(24,25)20-18-12-9-15(21(22)23)13-19(18)28-30(26,27)17-5-3-2-4-6-17/h2-13,20H,1H3