2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methylsulfonylphenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methylsulfonylphenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-methylsulfonylphenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methylsulfonylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-mesylphenyl)acetamide Formula: C18H19NO5S2 MolecularWeight: 393.47716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H19NO5S2/c1-26(21,22)17-6-3-2-5-14(17)19-18(20)12-25-13-7-8-15-16(11-13)24-10-4-9-23-15/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,19,20)