3-(azepan-1-ylsulfonyl)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[(6-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=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

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

InChI

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