2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-indan-5-ylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(4-indan-5-ylsulfonylpiperazino)ethanone Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CSC4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CSC4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C24H28N2O5S2/c27-24(17-32-20-6-8-22-23(16-20)31-14-2-13-30-22)25-9-11-26(12-10-25)33(28,29)21-7-5-18-3-1-4-19(18)15-21/h5-8,15-16H,1-4,9-14,17H2