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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1C2=NC=CC(=C2)C#N)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CCCN1CCC(CC1C2=NC=CC(=C2)C#N)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C22H26N4O3S/c1-3-11-26-12-9-18(14-21(26)20-13-16(15-23)8-10-24-20)22(27)17-4-6-19(7-5-17)25-30(2,28)29/h4-8,10,13,18,21,25H,3,9,11-12,14H2,1-2H3