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

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-(4-indan-5-ylsulfonylpiperazino)-2-(4-pyridylthio)ethanone Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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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=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S2/c24-20(15-27-18-6-8-21-9-7-18)22-10-12-23(13-11-22)28(25,26)19-5-4-16-2-1-3-17(16)14-19/h4-9,14H,1-3,10-13,15H2