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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C24H27ClN4O4S MolecularWeight: 503.01358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C24H27ClN4O4S/c1-17-22(24(31)29(27(17)2)18-10-6-5-7-11-18)26-23(30)20-16-19(12-13-21(20)25)34(32,33)28-14-8-3-4-9-15-28/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3,(H,26,30)