N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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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=C3)OCCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H23N3O5S2/c24-19(22-15-4-6-17-18(12-15)28-11-3-10-27-17)14-29-20-7-5-16(13-21-20)30(25,26)23-8-1-2-9-23/h4-7,12-13H,1-3,8-11,14H2,(H,22,24)