[4-(phenethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O6S/c24-21(22-14-13-16-5-2-1-3-6-16)17-9-11-19(12-10-17)29-30(27,28)20-8-4-7-18(15-20)23(25)26/h1-12,15H,13-14H2,(H,22,24)