4-[6-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]pyridin-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]pyridin-3-yl]sulfonylmorpholine Openeye Name: 4-[[6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-pyridyl]sulfonyl]morpholine CAS Name: 4-[[6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-3-pyridinyl]sulfonyl]morpholine IUPAC Name: 4-[6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]pyridin-3-yl]sulfonylmorpholine Traditional Name: 4-[[6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-3-pyridyl]sulfonyl]morpholine Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4)Cl)OC1

InChI

InChI=1S/C19H21ClN2O5S2/c20-16-10-14(11-17-19(16)27-7-1-6-26-17)13-28-18-3-2-15(12-21-18)29(23,24)22-4-8-25-9-5-22/h2-3,10-12H,1,4-9,13H2