4-(azepan-1-ylcarbonyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzenesulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzenesulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzenesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzenesulfonamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N4O4S/c1-18-22(24(30)28(26(18)2)20-10-6-5-7-11-20)25-33(31,32)21-14-12-19(13-15-21)23(29)27-16-8-3-4-9-17-27/h5-7,10-15,25H,3-4,8-9,16-17H2,1-2H3