2-(hydroxymethyl)-4-[5-(3-methoxy-4-methylsulfanyl-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 2-(hydroxymethyl)-4-[5-(3-methoxy-4-methylsulfanyl-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 2-(hydroxymethyl)-4-[5-(3-methoxy-4-methylsulfanyl-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 2-(hydroxymethyl)-4-[5-[3-methoxy-4-(methylthio)phenyl]-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 2-(hydroxymethyl)-4-[5-(3-methoxy-4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-[3-methoxy-4-(methylthio)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylol-benzenesulfonamide Formula: C19H18F3N3O4S2 MolecularWeight: 473.48913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=NN2C3=CC(=C(C=C3)S(=O)(=O)N)CO)C(F)(F)F)SC

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=NN2C3=CC(=C(C=C3)S(=O)(=O)N)CO)C(F)(F)F)SC

InChI

InChI=1S/C19H18F3N3O4S2/c1-29-15-8-11(3-5-16(15)30-2)14-9-18(19(20,21)22)24-25(14)13-4-6-17(31(23,27)28)12(7-13)10-26/h3-9,26H,10H2,1-2H3,(H2,23,27,28)