ethyl 5-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 5-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: ethyl 5-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-5-oxo-pentanoate CAS Name: 5-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-5-oxopentanoate Traditional Name: 5-keto-5-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]valeric acid ethyl ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC(=O)N1CCCN1C(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCCC(=O)N1CCCN1C(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C18H24N2O6S/c1-3-26-17(22)11-6-10-16(21)19-12-7-13-20(19)18(23)14-8-4-5-9-15(14)27(2,24)25/h4-5,8-9H,3,6-7,10-13H2,1-2H3