[4-(cyclohexylmethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(cyclohexylmethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(cyclohexylmethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(cyclohexylmethylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(cyclohexylmethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(cyclohexylmethylcarbamoyl)phenyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c23-20(21-14-15-5-2-1-3-6-15)16-9-11-18(12-10-16)28-29(26,27)19-8-4-7-17(13-19)22(24)25/h4,7-13,15H,1-3,5-6,14H2,(H,21,23)