[4-(3,5-dimethylpiperidin-1-yl)carbonylphenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(3,5-dimethylpiperidin-1-yl)carbonylphenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(3,5-dimethylpiperidine-1-carbonyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(3,5-dimethylpiperidine-1-carbonyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(3,5-dimethylpiperidine-1-carbonyl)phenyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N2O6S/c1-14-10-15(2)13-21(12-14)20(23)16-6-8-18(9-7-16)28-29(26,27)19-5-3-4-17(11-19)22(24)25/h3-9,11,14-15H,10,12-13H2,1-2H3