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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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