1-[6-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazine

Systemtic Name: 1-[6-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[[6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-pyridyl]sulfonyl]-4-methyl-piperazine CAS Name: 1-[[6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-3-pyridinyl]sulfonyl]-4-methylpiperazine IUPAC Name: 1-[6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methylpiperazine Traditional Name: 1-[[6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-3-pyridyl]sulfonyl]-4-methyl-piperazine Formula: C19H22ClN3O4S2 MolecularWeight: 455.97868

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C19H22ClN3O4S2/c1-22-4-6-23(7-5-22)29(24,25)17-2-3-18(21-10-17)28-12-15-9-16(20)8-14-11-26-13-27-19(14)15/h2-3,8-10H,4-7,11-13H2,1H3