N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-[2-(2-methoxyphenyl)-2-pyrrolidino-ethyl]nipecotamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C(CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)N4CCCC4

InChI

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