2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-pyridine Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(1-piperidylsulfonyl)pyridine CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-(1-piperidinylsulfonyl)pyridine IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-piperidinosulfonyl-pyridine Formula: C19H21BrN2O4S2 MolecularWeight: 485.41504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C19H21BrN2O4S2/c20-16-11-18-17(25-8-9-26-18)10-14(16)13-27-19-5-4-15(12-21-19)28(23,24)22-6-2-1-3-7-22/h4-5,10-12H,1-3,6-9,13H2