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

Systemtic Name: 2-[(3,4-dimethyl-2-methylsulfonyl-phenyl)amino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(3,4-dimethyl-2-methylsulfonyl-anilino)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-(3,4-dimethyl-2-methylsulfonylanilino)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-(3,4-dimethyl-2-methylsulfonylanilino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(2-mesyl-3,4-dimethyl-anilino)acetamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-14-11-12-18(21(15(14)2)31(5,29)30)23-13-19(27)24-20-16(3)25(4)26(22(20)28)17-9-7-6-8-10-17/h6-12,23H,13H2,1-5H3,(H,24,27)