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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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