(3,3-dimethyl-2-oxidanylidene-butyl) 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C18H25NO5S/c1-13-7-9-14(10-8-13)25(22,23)19-11-5-6-15(19)17(21)24-12-16(20)18(2,3)4/h7-10,15H,5-6,11-12H2,1-4H3