[4-(cyclopentylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(cyclopentylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(cyclopentylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(cyclopentylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(cyclopentylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(cyclopentylcarbamoyl)phenyl] ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c21-18(19-14-4-1-2-5-14)13-8-10-16(11-9-13)26-27(24,25)17-7-3-6-15(12-17)20(22)23/h3,6-12,14H,1-2,4-5H2,(H,19,21)