2-oxidanylidenepropyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: acetonyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid acetonyl ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO5S/c1-12-4-5-16(10-13(12)2)24(21,22)18-8-6-15(7-9-18)17(20)23-11-14(3)19/h4-5,10,15H,6-9,11H2,1-3H3