[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(4-phenylbutan-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(1-methyl-3-phenyl-propyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(4-phenylbutan-2-ylamino)methyl]phenyl] ester IUPAC Name: [4-(4-phenylbutan-2-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(1-methyl-3-phenyl-propyl)carbamoyl]phenyl] ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O6S/c1-17(10-11-18-6-3-2-4-7-18)24-23(26)19-12-14-21(15-13-19)31-32(29,30)22-9-5-8-20(16-22)25(27)28/h2-9,12-17H,10-11H2,1H3,(H,24,26)