N-[(2-phenylmethoxypyridin-4-yl)methyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[(2-phenylmethoxypyridin-4-yl)methyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(2-benzyloxy-4-pyridyl)methyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(2-phenylmethoxypyridin-4-yl)methyl]piperidine-3-carboxamide Traditional Name: N-[(2-benzoxy-4-pyridyl)methyl]-1-besyl-nipecotamide Formula: C25H27N3O4S MolecularWeight: 465.56458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC(=NC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC(=NC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c29-25(22-10-7-15-28(18-22)33(30,31)23-11-5-2-6-12-23)27-17-21-13-14-26-24(16-21)32-19-20-8-3-1-4-9-20/h1-6,8-9,11-14,16,22H,7,10,15,17-19H2,(H,27,29)