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

Systemtic Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; 2-phenylethanamine Openeye Name: 2-phenylethanamine; 4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide; 2-phenylethanamine IUPAC Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; 2-phenylethanamine Traditional Name: phenethylamine; 4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Formula: C25H25F3N4O2S MolecularWeight: 502.55181

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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.C1=CC=C(C=C1)CCN

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3N3O2S.C8H11N/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;9-7-6-8-4-2-1-3-5-8/h2-10H,1H3,(H2,21,24,25);1-5H,6-7,9H2