ethyl 6-[2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidin-1-yl]-6-oxidanylidene-hexanoate

Systemtic Name: ethyl 6-[2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidin-1-yl]-6-oxidanylidene-hexanoate Openeye Name: ethyl 6-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidin-1-yl]-6-oxo-hexanoate CAS Name: 6-[2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-1-pyrazolidinyl]-6-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidin-1-yl]-6-oxohexanoate Traditional Name: 6-keto-6-[2-[2-(4-mesylphenyl)acetyl]pyrazolidin-1-yl]hexanoic acid ethyl ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCCCC(=O)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C20H28N2O6S/c1-3-28-20(25)8-5-4-7-18(23)21-13-6-14-22(21)19(24)15-16-9-11-17(12-10-16)29(2,26)27/h9-12H,3-8,13-15H2,1-2H3