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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-morpholinosulfonyl-2-pyridyl)thio]acetamide Formula: C20H23N3O6S2 MolecularWeight: 465.54312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4)OC1

InChI

InChI=1S/C20H23N3O6S2/c24-19(22-15-2-4-17-18(12-15)29-9-1-8-28-17)14-30-20-5-3-16(13-21-20)31(25,26)23-6-10-27-11-7-23/h2-5,12-13H,1,6-11,14H2,(H,22,24)