N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[[2-(isopropoxymethyl)phenyl]methyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(isopropoxymethyl)benzyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C22H29N3O4S MolecularWeight: 431.54836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)OCC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H29N3O4S/c1-17(2)29-16-20-7-4-3-6-19(20)14-24-22(26)18-9-12-25(13-10-18)30(27,28)21-8-5-11-23-15-21/h3-8,11,15,17-18H,9-10,12-14,16H2,1-2H3,(H,24,26)