2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H23N3O3S2/c24-20(15-27-18-7-6-16-3-1-4-17(16)13-18)22-9-11-23(12-10-22)28(25,26)19-5-2-8-21-14-19/h2,5-8,13-14H,1,3-4,9-12,15H2