1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-[(4-methylphenyl)methyl]piperazine

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-[(4-methylphenyl)methyl]piperazine Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(p-tolylmethyl)piperazine CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-[(4-methylphenyl)methyl]piperazine IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-[(4-methylphenyl)methyl]piperazine Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(4-methylbenzyl)piperazine Formula: C20H20F6N2O2S MolecularWeight: 466.440419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H20F6N2O2S/c1-14-2-4-15(5-3-14)13-27-6-8-28(9-7-27)31(29,30)18-11-16(19(21,22)23)10-17(12-18)20(24,25)26/h2-5,10-12H,6-9,13H2,1H3