N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C19H20ClN3O5S2 MolecularWeight: 469.9622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3Cl)OCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3Cl)OCCO4

InChI

InChI=1S/C19H20ClN3O5S2/c20-14-9-16-17(28-8-7-27-16)10-15(14)22-18(24)12-29-19-4-3-13(11-21-19)30(25,26)23-5-1-2-6-23/h3-4,9-11H,1-2,5-8,12H2,(H,22,24)