3-(azepan-1-ylsulfonyl)-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[[2-(1-pyrazolyl)-3-pyridinyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]benzamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=C(N=CC=C3)N4C=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=C(N=CC=C3)N4C=CC=N4

InChI

InChI=1S/C22H25N5O3S/c28-22(24-17-19-9-6-11-23-21(19)27-15-7-12-25-27)18-8-5-10-20(16-18)31(29,30)26-13-3-1-2-4-14-26/h5-12,15-16H,1-4,13-14,17H2,(H,24,28)