3-(azepan-1-ylsulfonyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-methyl-benzamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N4O4S/c1-18-13-14-20(17-22(18)34(32,33)28-15-9-4-5-10-16-28)24(30)26-23-19(2)27(3)29(25(23)31)21-11-7-6-8-12-21/h6-8,11-14,17H,4-5,9-10,15-16H2,1-3H3,(H,26,30)