N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(p-tolylsulfonyl)-N-quinuclidin-3-yl-piperidine-4-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-quinuclidin-3-yl-1-tosyl-isonipecotamide Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CN4CCC3CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CN4CCC3CC4

InChI

InChI=1S/C20H29N3O3S/c1-15-2-4-18(5-3-15)27(25,26)23-12-8-17(9-13-23)20(24)21-19-14-22-10-6-16(19)7-11-22/h2-5,16-17,19H,6-14H2,1H3,(H,21,24)