methyl 3-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CSCCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CSCCC(=O)OC

InChI

InChI=1S/C18H26N2O5S2/c1-14-4-5-15(2)16(12-14)27(23,24)20-9-7-19(8-10-20)17(21)13-26-11-6-18(22)25-3/h4-5,12H,6-11,13H2,1-3H3