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

Systemtic Name: ethyl 6-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-6-oxidanylidene-hexanoate Openeye Name: ethyl 6-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-6-oxo-hexanoate CAS Name: 6-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-6-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-6-oxohexanoate Traditional Name: 6-keto-6-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]hexanoic acid ethyl ester Formula: C19H26N2O6S MolecularWeight: 410.48454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O6S/c1-3-27-18(23)12-7-6-11-17(22)20-13-8-14-21(20)19(24)15-9-4-5-10-16(15)28(2,25)26/h4-5,9-10H,3,6-8,11-14H2,1-2H3