3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-pyrazol-1-ylpyridin-3-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-pyrazol-1-ylpyridin-3-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-pyrazol-1-yl-3-pyridyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-[2-(1-pyrazolyl)-3-pyridinyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-pyrazol-1-ylpyridin-3-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-pyrazol-1-yl-3-pyridyl)benzamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(N=CC=C2)N3C=CC=N3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(N=CC=C2)N3C=CC=N3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N5O4S/c1-31-19-10-9-17(16-20(19)32(29,30)26-13-4-2-3-5-14-26)22(28)25-18-8-6-11-23-21(18)27-15-7-12-24-27/h6-12,15-16H,2-5,13-14H2,1H3,(H,25,28)