[4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[methyl(p-tolylmethyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[methyl-[(4-methylphenyl)methyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[methyl-(4-methylbenzyl)carbamoyl]phenyl] ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6S/c1-16-6-8-17(9-7-16)15-23(2)22(25)18-10-12-20(13-11-18)30-31(28,29)21-5-3-4-19(14-21)24(26)27/h3-14H,15H2,1-2H3