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

Systemtic Name: 1-(phenylmethyl)sulfonyl-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]piperidine-4-carboxamide CAS Name: 1-(phenylmethyl)sulfonyl-N-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]isonipecotamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CN=C(C=C2)N3C=CC=N3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CN=C(C=C2)N3C=CC=N3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S/c28-22(24-16-19-7-8-21(23-15-19)27-12-4-11-25-27)20-9-13-26(14-10-20)31(29,30)17-18-5-2-1-3-6-18/h1-8,11-12,15,20H,9-10,13-14,16-17H2,(H,24,28)