N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]isonipecotamide Formula: C21H33N3O4S MolecularWeight: 423.56942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C)N3CCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-28-19-8-6-17(7-9-19)20(23-12-4-3-5-13-23)16-22-21(25)18-10-14-24(15-11-18)29(2,26)27/h6-9,18,20H,3-5,10-16H2,1-2H3,(H,22,25)