N-[2,3,4-tris(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide

Systemtic Name: N-[2,3,4-tris(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide Openeye Name: N-[2,3,4-tris(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide CAS Name: N-[2,3,4-tris(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide IUPAC Name: N-[2,3,4-tris(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide Traditional Name: N-[2,3,4-tris(4-mesylphenyl)-5-(trifluoromethyl)-3-pyrazolin-3-yl]benzenesulfonamide Formula: C31H28F3N3O8S4 MolecularWeight: 755.82453

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(NN(C2(C3=CC=C(C=C3)S(=O)(=O)C)NS(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(NN(C2(C3=CC=C(C=C3)S(=O)(=O)C)NS(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C31H28F3N3O8S4/c1-46(38,39)24-15-9-21(10-16-24)28-29(31(32,33)34)35-37(23-13-19-26(20-14-23)48(3,42)43)30(28,22-11-17-25(18-12-22)47(2,40)41)36-49(44,45)27-7-5-4-6-8-27/h4-20,35-36H,1-3H3