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

Systemtic Name: 1-[6-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[[6-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-3-pyridyl]sulfonyl]-4-methyl-piperazine CAS Name: 1-[[6-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-3-pyridinyl]sulfonyl]-4-methylpiperazine IUPAC Name: 1-[6-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methylpiperazine Traditional Name: 1-[[6-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-3-pyridyl]sulfonyl]-4-methyl-piperazine Formula: C18H20BrN3O4S2 MolecularWeight: 486.4031

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C18H20BrN3O4S2/c1-21-4-6-22(7-5-21)28(23,24)14-2-3-18(20-10-14)27-11-13-8-16-17(9-15(13)19)26-12-25-16/h2-3,8-10H,4-7,11-12H2,1H3