1-(4-methylphenyl)sulfonyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(p-tolylsulfonyl)-N-[[4-(3-pyridylmethoxy)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[[4-(3-pyridinylmethoxy)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide Traditional Name: N-[4-(3-pyridylmethoxy)benzyl]-1-tosyl-isonipecotamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)OCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-20-4-10-25(11-5-20)34(31,32)29-15-12-23(13-16-29)26(30)28-18-21-6-8-24(9-7-21)33-19-22-3-2-14-27-17-22/h2-11,14,17,23H,12-13,15-16,18-19H2,1H3,(H,28,30)