N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-1-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-1-(phenylmethyl)piperidine-3-carboxamide Openeye Name: 1-benzyl-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]piperidine-3-carboxamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-1-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-benzyl-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide Traditional Name: 1-benzyl-N-(2-methoxy-5-piperidinosulfonyl-phenyl)nipecotamide Formula: C25H33N3O4S MolecularWeight: 471.61222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCCN(C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O4S/c1-32-24-13-12-22(33(30,31)28-15-6-3-7-16-28)17-23(24)26-25(29)21-11-8-14-27(19-21)18-20-9-4-2-5-10-20/h2,4-5,9-10,12-13,17,21H,3,6-8,11,14-16,18-19H2,1H3,(H,26,29)