[4-(2-phenylpropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(2-phenylpropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(2-phenylpropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(2-phenylpropylamino)methyl]phenyl] ester IUPAC Name: [4-(2-phenylpropylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(2-phenylpropylcarbamoyl)phenyl] ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6S/c1-16(17-6-3-2-4-7-17)15-23-22(25)18-10-12-20(13-11-18)30-31(28,29)21-9-5-8-19(14-21)24(26)27/h2-14,16H,15H2,1H3,(H,23,25)