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

Systemtic Name: [3-(1-methylpiperidin-4-yl)carbonylphenyl] 4-cyanobenzenesulfonate Openeye Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] 4-cyanobenzenesulfonate CAS Name: 4-cyanobenzenesulfonic acid [3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] 4-cyanobenzenesulfonate Traditional Name: 4-cyanobenzenesulfonic acid [3-(1-methylisonipecotoyl)phenyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-22-11-9-16(10-12-22)20(23)17-3-2-4-18(13-17)26-27(24,25)19-7-5-15(14-21)6-8-19/h2-8,13,16H,9-12H2,1H3