4-[6-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]pyridin-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]pyridin-3-yl]sulfonylmorpholine Openeye Name: 4-[[6-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-3-pyridyl]sulfonyl]morpholine CAS Name: 4-[[6-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-3-pyridinyl]sulfonyl]morpholine IUPAC Name: 4-[6-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyridin-3-yl]sulfonylmorpholine Traditional Name: 4-[[6-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-3-pyridyl]sulfonyl]morpholine Formula: C17H17BrN2O5S2 MolecularWeight: 473.36128

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CN=C(C=C2)SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CN=C(C=C2)SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C17H17BrN2O5S2/c18-14-8-16-15(24-11-25-16)7-12(14)10-26-17-2-1-13(9-19-17)27(21,22)20-3-5-23-6-4-20/h1-2,7-9H,3-6,10-11H2