N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(3,5-dimethyl-1-pyrazolyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=CC(=N2)C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=CC(=N2)C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H28N4O3S/c1-15-8-9-18(21-20(25)14-24-17(3)12-16(2)22-24)13-19(15)28(26,27)23-10-6-4-5-7-11-23/h8-9,12-13H,4-7,10-11,14H2,1-3H3,(H,21,25)