1-(4-methylphenyl)sulfonyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-(p-tolylsulfonyl)-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]piperidine-4-carboxamide Traditional Name: N-[(6-pyrrolidino-3-pyridyl)methyl]-1-tosyl-isonipecotamide Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=C(C=C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=C(C=C3)N4CCCC4

InChI

InChI=1S/C23H30N4O3S/c1-18-4-7-21(8-5-18)31(29,30)27-14-10-20(11-15-27)23(28)25-17-19-6-9-22(24-16-19)26-12-2-3-13-26/h4-9,16,20H,2-3,10-15,17H2,1H3,(H,25,28)