[4-(1-phenylethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(1-phenylethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(1-phenylethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(1-phenylethylamino)methyl]phenyl] ester IUPAC Name: [4-(1-phenylethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(1-phenylethylcarbamoyl)phenyl] ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O6S/c1-15(16-6-3-2-4-7-16)22-21(24)17-10-12-19(13-11-17)29-30(27,28)20-9-5-8-18(14-20)23(25)26/h2-15H,1H3,(H,22,24)