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

Systemtic Name: ethyl 4-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-4-oxo-butanoate CAS Name: 4-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]butyric acid ethyl ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O6S/c1-3-25-16(21)10-9-15(20)18-11-6-12-19(18)17(22)13-7-4-5-8-14(13)26(2,23)24/h4-5,7-8H,3,6,9-12H2,1-2H3