1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(2-fluorophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(2-fluorophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(2-fluorophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-3-[(2-fluorophenyl)thio]-1-propanone IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-(2-fluorophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-3-[(2-fluorophenyl)thio]propan-1-one Formula: C22H25FN2O5S2 MolecularWeight: 480.572703

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4F)OC1

InChI

InChI=1S/C22H25FN2O5S2/c23-18-4-1-2-5-21(18)31-15-8-22(26)24-9-11-25(12-10-24)32(27,28)17-6-7-19-20(16-17)30-14-3-13-29-19/h1-2,4-7,16H,3,8-15H2