methyl 5-[2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidin-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidin-1-yl]-5-oxo-pentanoate CAS Name: 5-[2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-1-pyrazolidinyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidin-1-yl]-5-oxopentanoate Traditional Name: 5-keto-5-[2-[2-(4-mesylphenyl)acetyl]pyrazolidin-1-yl]valeric acid methyl ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)CCCC(=O)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C18H24N2O6S/c1-26-18(23)6-3-5-16(21)19-11-4-12-20(19)17(22)13-14-7-9-15(10-8-14)27(2,24)25/h7-10H,3-6,11-13H2,1-2H3