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The molecular formula is C16H23NO4S.
The molecular weight is 325.4 g/mol.
The IUPAC name is ethyl 5,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate.
The InChI is InChI=1S/C16H23NO4S/c1-5-21-15(18)14-10-11-16(3,4)17(14)22(19,20)13-8-6-12(2)7-9-13/h6-9,14H,5,10-11H2,1-4H3.
The InChIKey is KBTGDSPBENVRLB-UHFFFAOYSA-N.
The canonical SMILES is CCOC(=O)C1CCC(N1S(=O)(=O)C2=CC=C(C=C2)C)(C)C.
The XLogP3-AA is 2.9.
It has 0 hydrogen bond donor counts.
It has 5 hydrogen bond acceptor counts.
It has 5 rotatable bond counts.
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