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

Systemtic Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[[2-(dimethylaminomethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[[2-(dimethylaminomethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[2-(dimethylaminomethyl)benzyl]isonipecotamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-24(2)17-20-9-7-6-8-19(20)16-23-22(26)18-12-14-25(15-13-18)29(27,28)21-10-4-3-5-11-21/h3-11,18H,12-17H2,1-2H3,(H,23,26)