N-[4-[2-(hydroxymethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[4-[2-(hydroxymethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[4-[2-(hydroxymethyl)-1-[2-(2-pyridyl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide CAS Name: N-[4-[[2-(hydroxymethyl)-1-[2-(2-pyridinyl)ethyl]-4-piperidinyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-(hydroxymethyl)-1-(2-pyridin-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-methylol-1-[2-(2-pyridyl)ethyl]isonipecotoyl]phenyl]methanesulfonamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(C(C2)CO)CCC3=CC=CC=N3

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(C(C2)CO)CCC3=CC=CC=N3

InChI

InChI=1S/C21H27N3O4S/c1-29(27,28)23-19-7-5-16(6-8-19)21(26)17-9-12-24(20(14-17)15-25)13-10-18-4-2-3-11-22-18/h2-8,11,17,20,23,25H,9-10,12-15H2,1H3