[3-(1-methylpiperidin-4-yl)carbonylphenyl] benzenesulfonate

Systemtic Name: [3-(1-methylpiperidin-4-yl)carbonylphenyl] benzenesulfonate Openeye Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(1-methylisonipecotoyl)phenyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21NO4S/c1-20-12-10-15(11-13-20)19(21)16-6-5-7-17(14-16)24-25(22,23)18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3