1-(phenylsulfonyl)-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-(phenylsulfonyl)-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[[2-(1-pyrazolyl)-4-pyridinyl]methyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-[(2-pyrazol-1-yl-4-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=CC(=NC=C3)N4C=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3S/c27-21(23-15-17-9-11-22-20(14-17)26-13-5-10-24-26)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)