N-[4-methoxy-3-(phenylmethyl)phenyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-benzyl-4-methoxy-phenyl)-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-methoxy-3-(phenylmethyl)phenyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(3-benzyl-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(3-benzyl-4-methoxy-phenyl)-1-(3-pyridylsulfonyl)isonipecotamide Formula: C25H27N3O4S MolecularWeight: 465.56458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c1-32-24-10-9-22(17-21(24)16-19-6-3-2-4-7-19)27-25(29)20-11-14-28(15-12-20)33(30,31)23-8-5-13-26-18-23/h2-10,13,17-18,20H,11-12,14-16H2,1H3,(H,27,29)