methyl 6-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-6-oxidanylidene-hexanoate

Systemtic Name: methyl 6-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-6-oxidanylidene-hexanoate Openeye Name: methyl 6-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-6-oxo-hexanoate CAS Name: 6-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-6-oxohexanoate Traditional Name: 6-keto-6-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]hexanoic acid methyl ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O6S/c1-26-17(22)11-6-5-10-16(21)19-12-7-13-20(19)18(23)14-8-3-4-9-15(14)27(2,24)25/h3-4,8-9H,5-7,10-13H2,1-2H3