2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline; 2,2,2-trifluoroacetic acid CAS Name: 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)-1-piperazinyl]quinazoline; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-4-[4-(3-methylsulfonylphenyl)piperazin-1-yl]quinazoline; 2,2,2-trifluoroacetic acid Traditional Name: 2-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-4-[4-(3-mesylphenyl)piperazino]quinazoline; 2,2,2-trifluoroacetic acid Formula: C34H28ClF9N6O8S MolecularWeight: 887.125149

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=C(NN=C5)C6=CC=C(C=C6)Cl.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=C(NN=C5)C6=CC=C(C=C6)Cl.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C28H25ClN6O2S.3C2HF3O2/c1-38(36,37)22-6-4-5-21(17-22)34-13-15-35(16-14-34)28-23-7-2-3-8-25(23)31-27(32-28)24-18-30-33-26(24)19-9-11-20(29)12-10-19;3*3-2(4,5)1(6)7/h2-12,17-18H,13-16H2,1H3,(H,30,33);3*(H,6,7)