N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]isonipecotamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)N4CCCC4

InChI

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