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

Systemtic Name: [4-[methyl(phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[methyl(phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(N-methylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[methyl(phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[methyl(phenyl)carbamoyl]phenyl] ester Formula: C20H16N2O6S MolecularWeight: 412.41584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O6S/c1-21(16-6-3-2-4-7-16)20(23)15-10-12-18(13-11-15)28-29(26,27)19-9-5-8-17(14-19)22(24)25/h2-14H,1H3