N-butyl-N-[4-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-butyl-N-[4-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-butyl-N-[4-[1-[2-(3-pyridyl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide CAS Name: N-butyl-N-[4-[oxo-[1-[2-(3-pyridinyl)ethyl]-4-piperidinyl]methyl]phenyl]methanesulfonamide IUPAC Name: N-butyl-N-[4-[1-(2-pyridin-3-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide Traditional Name: N-butyl-N-[4-[1-[2-(3-pyridyl)ethyl]isonipecotoyl]phenyl]methanesulfonamide Formula: C24H33N3O3S MolecularWeight: 443.60212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)C(=O)C2CCN(CC2)CCC3=CN=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)C(=O)C2CCN(CC2)CCC3=CN=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C24H33N3O3S/c1-3-4-15-27(31(2,29)30)23-9-7-21(8-10-23)24(28)22-12-17-26(18-13-22)16-11-20-6-5-14-25-19-20/h5-10,14,19,22H,3-4,11-13,15-18H2,1-2H3