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

Systemtic Name: [2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate Openeye Name: [2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C19H26N2O6S MolecularWeight: 410.48454

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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)CCC(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O6S/c1-14-4-6-17(12-15(14)2)28(25,26)21-10-8-20(9-11-21)18(23)13-27-19(24)7-5-16(3)22/h4,6,12H,5,7-11,13H2,1-3H3