methyl 2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]thio]acetic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)CSCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H22N2O5S2/c1-26-19(23)14-27-13-18(22)20-8-10-21(11-9-20)28(24,25)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12H,8-11,13-14H2,1H3