1-[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-(2,2-dimethyl-1-oxopropoxy)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(4-pivaloyloxyphenyl)sulfonylisonipecotic acid Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C17H23NO6S/c1-17(2,3)16(21)24-13-4-6-14(7-5-13)25(22,23)18-10-8-12(9-11-18)15(19)20/h4-7,12H,8-11H2,1-3H3,(H,19,20)