1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide Openeye Name: 1-(p-tolylsulfonyl)-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[2-(1-pyrrolidinyl)butyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide Traditional Name: N-(2-pyrrolidinobutyl)-1-tosyl-isonipecotamide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)N3CCCC3

Isomeric SMILES

CCC(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)N3CCCC3

InChI

InChI=1S/C21H33N3O3S/c1-3-19(23-12-4-5-13-23)16-22-21(25)18-10-14-24(15-11-18)28(26,27)20-8-6-17(2)7-9-20/h6-9,18-19H,3-5,10-16H2,1-2H3,(H,22,25)