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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

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