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

Systemtic Name: [4-[(phenylmethyl)-propyl-carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[benzyl(propyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[(phenylmethyl)-propylamino]methyl]phenyl] ester IUPAC Name: [4-[benzyl(propyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[benzyl(propyl)carbamoyl]phenyl] ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O6S/c1-2-15-24(17-18-7-4-3-5-8-18)23(26)19-11-13-21(14-12-19)31-32(29,30)22-10-6-9-20(16-22)25(27)28/h3-14,16H,2,15,17H2,1H3