2-[[4-chloranyl-3-(trifluoromethyl)phenyl]-methylsulfonyl-amino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]-methylsulfonyl-amino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[4-chloro-N-mesyl-3-(trifluoromethyl)anilino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C21H20ClF3N4O4S MolecularWeight: 516.92111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClF3N4O4S/c1-13-19(20(31)29(27(13)2)14-7-5-4-6-8-14)26-18(30)12-28(34(3,32)33)15-9-10-17(22)16(11-15)21(23,24)25/h4-11H,12H2,1-3H3,(H,26,30)