2-(hydroxymethyl)-4-[5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 2-(hydroxymethyl)-4-[5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 2-(hydroxymethyl)-4-[5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 2-(hydroxymethyl)-4-[5-[4-(methylthio)phenyl]-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 2-(hydroxymethyl)-4-[5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 2-methylol-4-[5-[4-(methylthio)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Formula: C18H16F3N3O3S2 MolecularWeight: 443.46315

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC(=NN2C3=CC(=C(C=C3)S(=O)(=O)N)CO)C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC(=NN2C3=CC(=C(C=C3)S(=O)(=O)N)CO)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O3S2/c1-28-14-5-2-11(3-6-14)15-9-17(18(19,20)21)23-24(15)13-4-7-16(29(22,26)27)12(8-13)10-25/h2-9,25H,10H2,1H3,(H2,22,26,27)