3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C21H21F3N2O5S MolecularWeight: 470.46205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F)OC1

InChI

InChI=1S/C21H21F3N2O5S/c22-21(23,24)16-4-1-2-5-19(16)32(28,29)26-10-8-25(9-11-26)20(27)15-6-7-17-18(14-15)31-13-3-12-30-17/h1-2,4-7,14H,3,8-13H2