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

Systemtic Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; (2S)-1-phenylpropan-2-amine Openeye Name: (2S)-1-phenylpropan-2-amine; 4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide; (2S)-1-phenyl-2-propanamine IUPAC Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; (2S)-1-phenylpropan-2-amine Traditional Name: [(1S)-1-methyl-2-phenyl-ethyl]amine; 4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Formula: C26H27F3N4O2S MolecularWeight: 516.57839

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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.CC(CC1=CC=CC=C1)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F.C[C@@H](CC1=CC=CC=C1)N

InChI

InChI=1S/C17H14F3N3O2S.C9H13N/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;1-8(10)7-9-5-3-2-4-6-9/h2-10H,1H3,(H2,21,24,25);2-6,8H,7,10H2,1H3/t;8-/m.0/s1