ethyl 2-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

CCOC(=O)CSCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C17H21N3O5S2/c1-2-25-17(22)13-26-12-16(21)19-7-9-20(10-8-19)27(23,24)15-6-4-3-5-14(15)11-18/h3-6H,2,7-10,12-13H2,1H3