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

Systemtic Name: [2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-methylpropanoate Openeye Name: [2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C(C)C)C

InChI

InChI=1S/C18H26N2O5S/c1-13(2)18(22)25-12-17(21)19-7-9-20(10-8-19)26(23,24)16-6-5-14(3)15(4)11-16/h5-6,11,13H,7-10,12H2,1-4H3