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

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)butanamide Openeye Name: 4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)butanamide CAS Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)butanamide IUPAC Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide Traditional Name: 4-(5-chloro-N-mesyl-2-methyl-anilino)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)butyramide Formula: C23H27ClN4O4S MolecularWeight: 491.00288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C

InChI

InChI=1S/C23H27ClN4O4S/c1-16-12-13-18(24)15-20(16)27(33(4,31)32)14-8-11-21(29)25-22-17(2)26(3)28(23(22)30)19-9-6-5-7-10-19/h5-7,9-10,12-13,15H,8,11,14H2,1-4H3,(H,25,29)