1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazine Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazine CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine Traditional Name: 1-(coumaran-5-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazine Formula: C20H21F3N2O3S MolecularWeight: 426.45255

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C20H21F3N2O3S/c21-20(22,23)17-3-1-2-4-19(17)29(26,27)25-10-8-24(9-11-25)14-15-5-6-18-16(13-15)7-12-28-18/h1-6,13H,7-12,14H2