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

Systemtic Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(3-bromo-N-methylsulfonyl-anilino)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-(3-bromo-N-methylsulfonylanilino)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-(3-bromo-N-methylsulfonylanilino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-(3-bromo-N-mesyl-anilino)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C20H21BrN4O4S MolecularWeight: 493.37414

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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(=CC=C3)Br)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O4S/c1-14-19(20(27)25(23(14)2)16-9-5-4-6-10-16)22-18(26)13-24(30(3,28)29)17-11-7-8-15(21)12-17/h4-12H,13H2,1-3H3,(H,22,26)