N-[4-[2-(3-cyanopyridin-2-yl)-1-ethyl-piperidin-4-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[4-[2-(3-cyanopyridin-2-yl)-1-ethyl-piperidin-4-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[4-[2-(3-cyano-2-pyridyl)-1-ethyl-piperidine-4-carbonyl]phenyl]methanesulfonamide CAS Name: N-[4-[[2-(3-cyano-2-pyridinyl)-1-ethyl-4-piperidinyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-(3-cyanopyridin-2-yl)-1-ethylpiperidine-4-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-(3-cyano-2-pyridyl)-1-ethyl-isonipecotoyl]phenyl]methanesulfonamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1C2=C(C=CC=N2)C#N)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CCN1CCC(CC1C2=C(C=CC=N2)C#N)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C21H24N4O3S/c1-3-25-12-10-16(13-19(25)20-17(14-22)5-4-11-23-20)21(26)15-6-8-18(9-7-15)24-29(2,27)28/h4-9,11,16,19,24H,3,10,12-13H2,1-2H3