1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(2,4-dimethoxyphenyl)piperazine

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(2,4-dimethoxyphenyl)piperazine Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(2,4-dimethoxyphenyl)piperazine CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(2,4-dimethoxyphenyl)piperazine IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(2,4-dimethoxyphenyl)piperazine Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(2,4-dimethoxyphenyl)piperazine Formula: C20H20F6N2O4S MolecularWeight: 498.439219

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC

InChI

InChI=1S/C20H20F6N2O4S/c1-31-15-3-4-17(18(12-15)32-2)27-5-7-28(8-6-27)33(29,30)16-10-13(19(21,22)23)9-14(11-16)20(24,25)26/h3-4,9-12H,5-8H2,1-2H3