2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(1-ethylsulfonylindolin-5-yl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(1-esylindolin-5-yl)ethanone Formula: C21H23NO5S2 MolecularWeight: 433.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23NO5S2/c1-2-29(24,25)22-9-8-15-12-16(4-6-18(15)22)19(23)14-28-17-5-7-20-21(13-17)27-11-3-10-26-20/h4-7,12-13H,2-3,8-11,14H2,1H3