2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-(1-pyrrolidinylsulfonyl)pyridine IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-pyrrolidinosulfonyl-pyridine Formula: C19H21ClN2O4S2 MolecularWeight: 440.96404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

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