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

Systemtic Name: methyl 5-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-5-oxo-pentanoate CAS Name: 5-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-5-oxopentanoate Traditional Name: 5-keto-5-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]valeric acid methyl ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O6S/c1-25-16(21)10-5-9-15(20)18-11-6-12-19(18)17(22)13-7-3-4-8-14(13)26(2,23)24/h3-4,7-8H,5-6,9-12H2,1-2H3