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

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-(4-indan-5-ylsulfonylpiperazino)-2-(2-quinolylthio)ethanone Formula: C24H25N3O3S2 MolecularWeight: 467.6036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CSC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CSC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H25N3O3S2/c28-24(17-31-23-11-9-19-4-1-2-7-22(19)25-23)26-12-14-27(15-13-26)32(29,30)21-10-8-18-5-3-6-20(18)16-21/h1-2,4,7-11,16H,3,5-6,12-15,17H2