2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-piperidin-1-ylsulfonyl-pyridine Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(1-piperidylsulfonyl)pyridine CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(1-piperidinylsulfonyl)pyridine IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-piperidinosulfonyl-pyridine Formula: C19H21ClN2O4S2 MolecularWeight: 440.96404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C19H21ClN2O4S2/c20-16-8-14-11-25-13-26-19(14)15(9-16)12-27-18-5-4-17(10-21-18)28(23,24)22-6-2-1-3-7-22/h4-5,8-10H,1-3,6-7,11-13H2