[4-(cycloheptylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c23-20(21-16-6-3-1-2-4-7-16)15-10-12-18(13-11-15)28-29(26,27)19-9-5-8-17(14-19)22(24)25/h5,8-14,16H,1-4,6-7H2,(H,21,23)