N-[[4-(dimethylaminomethyl)phenyl]methyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[[4-(dimethylaminomethyl)phenyl]methyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[[4-(dimethylaminomethyl)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[[4-(dimethylaminomethyl)phenyl]methyl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-[4-(dimethylaminomethyl)benzyl]nipecotamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

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