methyl 2-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(4-indan-5-ylsulfonylpiperazino)-2-keto-ethyl]thio]acetic acid methyl ester Formula: C18H24N2O5S2 MolecularWeight: 412.52356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

COC(=O)CSCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C18H24N2O5S2/c1-25-18(22)13-26-12-17(21)19-7-9-20(10-8-19)27(23,24)16-6-5-14-3-2-4-15(14)11-16/h5-6,11H,2-4,7-10,12-13H2,1H3