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

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(3-chloro-2-methyl-N-methylsulfonyl-anilino)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-(3-chloro-N-mesyl-2-methyl-anilino)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N(CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N(CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C

InChI

InChI=1S/C21H23ClN4O4S/c1-14-17(22)11-8-12-18(14)25(31(4,29)30)13-19(27)23-20-15(2)24(3)26(21(20)28)16-9-6-5-7-10-16/h5-12H,13H2,1-4H3,(H,23,27)