1-[(3-fluorophenyl)methyl]-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazine

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazine Openeye Name: 1-[(3-fluorophenyl)methyl]-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazine CAS Name: 1-[(3-fluorophenyl)methyl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine Traditional Name: 1-(3-fluorobenzyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazine Formula: C18H18F4N2O3S MolecularWeight: 418.405733

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H18F4N2O3S/c19-15-3-1-2-14(12-15)13-23-8-10-24(11-9-23)28(25,26)17-6-4-16(5-7-17)27-18(20,21)22/h1-7,12H,8-11,13H2