3-oxidanylidenebutan-2-yl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid (2-keto-1-methyl-propyl) ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)C)C

InChI

InChI=1S/C18H25NO5S/c1-12-5-6-17(11-13(12)2)25(22,23)19-9-7-16(8-10-19)18(21)24-15(4)14(3)20/h5-6,11,15-16H,7-10H2,1-4H3