ethyl 4-[2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidin-1-yl]-4-oxo-butanoate CAS Name: 4-[2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-1-pyrazolidinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[2-[2-(4-mesylphenyl)acetyl]pyrazolidin-1-yl]butyric acid ethyl ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C18H24N2O6S/c1-3-26-18(23)10-9-16(21)19-11-4-12-20(19)17(22)13-14-5-7-15(8-6-14)27(2,24)25/h5-8H,3-4,9-13H2,1-2H3