1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine Formula: C20H21F3N2O4S MolecularWeight: 442.45195

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O4S/c21-20(22,23)15-4-3-5-17(12-15)30(26,27)25-10-8-24(9-11-25)13-16-14-28-18-6-1-2-7-19(18)29-16/h1-7,12,16H,8-11,13-14H2