1-(phenylsulfonyl)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-(phenylsulfonyl)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]nipecotamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H23N5O3S/c27-21(23-15-17-9-10-20(22-14-17)26-13-5-11-24-26)18-6-4-12-25(16-18)30(28,29)19-7-2-1-3-8-19/h1-3,5,7-11,13-14,18H,4,6,12,15-16H2,(H,23,27)