3-(2-dimethylaminoethyl)-4-(2-methylphenyl)-2-(1H-pyrazol-5-yl)-5-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 3-(2-dimethylaminoethyl)-4-(2-methylphenyl)-2-(1H-pyrazol-5-yl)-5-(trifluoromethyl)benzenesulfonamide Openeye Name: 3-(2-dimethylaminoethyl)-4-(o-tolyl)-2-(1H-pyrazol-5-yl)-5-(trifluoromethyl)benzenesulfonamide CAS Name: 3-(2-dimethylaminoethyl)-4-(2-methylphenyl)-2-(1H-pyrazol-5-yl)-5-(trifluoromethyl)benzenesulfonamide IUPAC Name: 3-(2-dimethylaminoethyl)-4-(2-methylphenyl)-2-(1H-pyrazol-5-yl)-5-(trifluoromethyl)benzenesulfonamide Traditional Name: 3-(2-dimethylaminoethyl)-4-(o-tolyl)-2-(1H-pyrazol-5-yl)-5-(trifluoromethyl)benzenesulfonamide Formula: C21H23F3N4O2S MolecularWeight: 452.49313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C(=C(C=C2C(F)(F)F)S(=O)(=O)N)C3=CC=NN3)CCN(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=C(C(=C(C=C2C(F)(F)F)S(=O)(=O)N)C3=CC=NN3)CCN(C)C

InChI

InChI=1S/C21H23F3N4O2S/c1-13-6-4-5-7-14(13)19-15(9-11-28(2)3)20(17-8-10-26-27-17)18(31(25,29)30)12-16(19)21(22,23)24/h4-8,10,12H,9,11H2,1-3H3,(H,26,27)(H2,25,29,30)