2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-morpholin-4-ylsulfonylphenyl)ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-morpholin-4-ylsulfonylphenyl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-morpholinosulfonylphenyl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-[4-(4-morpholinylsulfonyl)phenyl]ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-morpholin-4-ylsulfonylphenyl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(4-morpholinosulfonylphenyl)ethanone Formula: C21H23NO6S2 MolecularWeight: 449.54042

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)OC1

InChI

InChI=1S/C21H23NO6S2/c23-19(15-29-17-4-7-20-21(14-17)28-11-1-10-27-20)16-2-5-18(6-3-16)30(24,25)22-8-12-26-13-9-22/h2-7,14H,1,8-13,15H2