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

Systemtic Name: N-[4-[1-[3-(3-cyanopyridin-2-yl)propyl]piperidin-4-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[4-[1-[3-(3-cyano-2-pyridyl)propyl]piperidine-4-carbonyl]phenyl]methanesulfonamide CAS Name: N-[4-[[1-[3-(3-cyano-2-pyridinyl)propyl]-4-piperidinyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[1-[3-(3-cyanopyridin-2-yl)propyl]piperidine-4-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[4-[1-[3-(3-cyano-2-pyridyl)propyl]isonipecotoyl]phenyl]methanesulfonamide Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCCC3=C(C=CC=N3)C#N

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCCC3=C(C=CC=N3)C#N

InChI

InChI=1S/C22H26N4O3S/c1-30(28,29)25-20-8-6-17(7-9-20)22(27)18-10-14-26(15-11-18)13-3-5-21-19(16-23)4-2-12-24-21/h2,4,6-9,12,18,25H,3,5,10-11,13-15H2,1H3