3-methyl-1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 3-methyl-1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]piperazine Openeye Name: 3-methyl-1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]piperazine CAS Name: 3-methyl-1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]piperazine IUPAC Name: 3-methyl-1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-[4-mesyl-2-(trifluoromethyl)phenyl]-3-methyl-piperazine Formula: C13H17F3N2O2S MolecularWeight: 322.34649

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C13H17F3N2O2S/c1-9-8-18(6-5-17-9)12-4-3-10(21(2,19)20)7-11(12)13(14,15)16/h3-4,7,9,17H,5-6,8H2,1-2H3