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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(p-tolylsulfonyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: N-[2-(pyrrolidinomethyl)benzyl]-1-tosyl-isonipecotamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3CN4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3CN4CCCC4

InChI

InChI=1S/C25H33N3O3S/c1-20-8-10-24(11-9-20)32(30,31)28-16-12-21(13-17-28)25(29)26-18-22-6-2-3-7-23(22)19-27-14-4-5-15-27/h2-3,6-11,21H,4-5,12-19H2,1H3,(H,26,29)