ethyl 2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)CSCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C18H26N2O5S2/c1-4-25-18(22)13-26-12-17(21)19-7-9-20(10-8-19)27(23,24)16-6-5-14(2)15(3)11-16/h5-6,11H,4,7-10,12-13H2,1-3H3