2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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