1-(phenylsulfonyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(phenylsulfonyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[2-(pyrrolidinomethyl)benzyl]isonipecotamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3S/c28-24(25-18-21-8-4-5-9-22(21)19-26-14-6-7-15-26)20-12-16-27(17-13-20)31(29,30)23-10-2-1-3-11-23/h1-5,8-11,20H,6-7,12-19H2,(H,25,28)