ethyl 4-oxidanylidene-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoate Openeye Name: ethyl 4-oxo-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoate CAS Name: 4-oxo-4-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoate Traditional Name: 4-keto-4-(4-mesitylsulfonylpiperazino)butyric acid ethyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C19H28N2O5S/c1-5-26-18(23)7-6-17(22)20-8-10-21(11-9-20)27(24,25)19-15(3)12-14(2)13-16(19)4/h12-13H,5-11H2,1-4H3