4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide

Systemtic Name: 4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide Openeye Name: 4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide CAS Name: 4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide IUPAC Name: 4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide Traditional Name: 4-[3-(2,5-dimethylphenyl)-5-(3-fluorophenyl)-2-pyrazolin-1-yl]benzenesulfonamide Formula: C23H22FN3O2S MolecularWeight: 423.503083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(C2)C3=CC(=CC=C3)F)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(C2)C3=CC(=CC=C3)F)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C23H22FN3O2S/c1-15-6-7-16(2)21(12-15)22-14-23(17-4-3-5-18(24)13-17)27(26-22)19-8-10-20(11-9-19)30(25,28)29/h3-13,23H,14H2,1-2H3,(H2,25,28,29)