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

Systemtic Name: [4-[(phenylmethyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(benzylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-(benzylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(benzylcarbamoyl)phenyl] ester Formula: C20H16N2O6S MolecularWeight: 412.41584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O6S/c23-20(21-14-15-5-2-1-3-6-15)16-9-11-18(12-10-16)28-29(26,27)19-8-4-7-17(13-19)22(24)25/h1-13H,14H2,(H,21,23)