1-[6-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]pyridin-3-yl]sulfonylazepane

Systemtic Name: 1-[6-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]pyridin-3-yl]sulfonylazepane Openeye Name: 1-[[6-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-3-pyridyl]sulfonyl]azepane CAS Name: 1-[[6-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-3-pyridinyl]sulfonyl]azepane IUPAC Name: 1-[6-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]pyridin-3-yl]sulfonylazepane Traditional Name: 1-[[6-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-3-pyridyl]sulfonyl]azepane Formula: C19H21ClN2O4S2 MolecularWeight: 440.96404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C19H21ClN2O4S2/c20-16-9-14(10-17-19(16)26-13-25-17)12-27-18-6-5-15(11-21-18)28(23,24)22-7-3-1-2-4-8-22/h5-6,9-11H,1-4,7-8,12-13H2