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

Systemtic Name: methyl 4-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-4-oxo-butanoate CAS Name: 4-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]butyric acid methyl ester Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O6S/c1-24-15(20)9-8-14(19)17-10-5-11-18(17)16(21)12-6-3-4-7-13(12)25(2,22)23/h3-4,6-7H,5,8-11H2,1-2H3