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

Systemtic Name: 4-[4-(4-methylsulfanylphenyl)-1-(3-oxidanylpropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[1-(3-hydroxypropyl)-4-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[1-(3-hydroxypropyl)-4-[4-(methylthio)phenyl]-5-(trifluoromethyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[1-(3-hydroxypropyl)-4-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[1-(3-hydroxypropyl)-4-[4-(methylthio)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Formula: C20H20F3N3O3S2 MolecularWeight: 471.51631

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CCCO)C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CCCO)C(F)(F)F

InChI

InChI=1S/C20H20F3N3O3S2/c1-30-15-7-3-13(4-8-15)17-18(14-5-9-16(10-6-14)31(24,28)29)25-26(11-2-12-27)19(17)20(21,22)23/h3-10,27H,2,11-12H2,1H3,(H2,24,28,29)