2-(hydroxymethyl)-4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 2-(hydroxymethyl)-4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 2-(hydroxymethyl)-4-[5-(m-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 2-(hydroxymethyl)-4-[5-(3-methylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 2-(hydroxymethyl)-4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 2-methylol-4-[5-(m-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Formula: C18H16F3N3O3S MolecularWeight: 411.39815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=NN2C3=CC(=C(C=C3)S(=O)(=O)N)CO)C(F)(F)F

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=NN2C3=CC(=C(C=C3)S(=O)(=O)N)CO)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O3S/c1-11-3-2-4-12(7-11)15-9-17(18(19,20)21)23-24(15)14-5-6-16(28(22,26)27)13(8-14)10-25/h2-9,25H,10H2,1H3,(H2,22,26,27)