1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-(2-quinolylthio)ethanone Formula: C24H25N3O5S2 MolecularWeight: 499.6024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CSC4=NC5=CC=CC=C5C=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CSC4=NC5=CC=CC=C5C=C4)OC1

InChI

InChI=1S/C24H25N3O5S2/c28-24(17-33-23-9-6-18-4-1-2-5-20(18)25-23)26-10-12-27(13-11-26)34(29,30)19-7-8-21-22(16-19)32-15-3-14-31-21/h1-2,4-9,16H,3,10-15,17H2