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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(4-cyano-2-methyl-pyrazol-3-yl)-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(4-cyano-2-methyl-pyrazol-3-yl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(4-cyano-2-methyl-3-pyrazolyl)-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(4-cyano-2-methylpyrazol-3-yl)-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4-cyano-2-methyl-pyrazol-3-yl)-4-methoxy-benzamide Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C#N)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN1C(=C(C=N1)C#N)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H23N5O4S/c1-23-18(15(12-20)13-21-23)22-19(25)14-7-8-16(28-2)17(11-14)29(26,27)24-9-5-3-4-6-10-24/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,22,25)