2-acetyloxybenzoic acid; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 2-acetyloxybenzoic acid; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 2-acetoxybenzoic acid; 4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 2-acetyloxybenzoic acid; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 2-acetyloxybenzoic acid; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 2-acetoxybenzoic acid; 4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Formula: C26H22F3N3O6S MolecularWeight: 561.52959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F.CC(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F.CC(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C17H14F3N3O2S.C9H8O4/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-10H,1H3,(H2,21,24,25);2-5H,1H3,(H,11,12)