1-[5-butanoyl-3-chloranyl-6-[(2-oxidanylidenepiperidin-1-yl)methyl]pyridin-2-yl]-N-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: 1-[5-butanoyl-3-chloranyl-6-[(2-oxidanylidenepiperidin-1-yl)methyl]pyridin-2-yl]-N-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-benzylsulfonyl-1-[5-butanoyl-3-chloro-6-[(2-oxo-1-piperidyl)methyl]-2-pyridyl]piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(1-oxobutyl)-6-[(2-oxo-1-piperidinyl)methyl]-2-pyridinyl]-N-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-benzylsulfonyl-1-[5-butanoyl-3-chloro-6-[(2-oxopiperidin-1-yl)methyl]pyridin-2-yl]piperidine-4-carboxamide Traditional Name: N-benzylsulfonyl-1-[5-butyryl-3-chloro-6-[(2-ketopiperidino)methyl]-2-pyridyl]isonipecotamide Formula: C28H35ClN4O5S MolecularWeight: 575.1193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(N=C1CN2CCCCC2=O)N3CCC(CC3)C(=O)NS(=O)(=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

CCCC(=O)C1=CC(=C(N=C1CN2CCCCC2=O)N3CCC(CC3)C(=O)NS(=O)(=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C28H35ClN4O5S/c1-2-8-25(34)22-17-23(29)27(30-24(22)18-33-14-7-6-11-26(33)35)32-15-12-21(13-16-32)28(36)31-39(37,38)19-20-9-4-3-5-10-20/h3-5,9-10,17,21H,2,6-8,11-16,18-19H2,1H3,(H,31,36)