4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)phenyl]sulfonylmorpholine Openeye Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)phenyl]sulfonylmorpholine CAS Name: 4-[3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)phenyl]sulfonylmorpholine Traditional Name: 4-[3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]phenyl]sulfonylmorpholine Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)OC1

InChI

InChI=1S/C20H23NO5S2/c22-28(23,21-7-11-24-12-8-21)18-4-1-3-16(13-18)15-27-17-5-6-19-20(14-17)26-10-2-9-25-19/h1,3-6,13-14H,2,7-12,15H2