2-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)sulfonyl-3-oxidanyl-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)sulfonyl-3-oxidanyl-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-hydroxy-N-(p-tolylsulfonyl)-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide CAS Name: 2-(1,3-benzothiazol-2-yl)-3-hydroxy-N-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-hydroxy-N-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-5-hydroxy-N-tosyl-3-(trifluoromethyl)-3-pyrazoline-4-carboxamide Formula: C19H15F3N4O4S2 MolecularWeight: 484.47201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(NC2C(F)(F)F)C3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(N(NC2C(F)(F)F)C3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C19H15F3N4O4S2/c1-10-6-8-11(9-7-10)32(29,30)25-16(27)14-15(19(20,21)22)24-26(17(14)28)18-23-12-4-2-3-5-13(12)31-18/h2-9,15,24,28H,1H3,(H,25,27)