2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(1-pyrrolidinylsulfonyl)pyridine IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-pyrrolidinosulfonyl-pyridine Formula: C17H17BrN2O4S2 MolecularWeight: 457.36188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C17H17BrN2O4S2/c18-14-8-16-15(23-11-24-16)7-12(14)10-25-17-4-3-13(9-19-17)26(21,22)20-5-1-2-6-20/h3-4,7-9H,1-2,5-6,10-11H2