1-(4-carboxyphenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(4-carboxyphenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(4-carboxyphenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(4-carboxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(4-carboxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(4-carboxyphenyl)sulfonylisonipecotic acid Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H15NO6S/c15-12(16)9-1-3-11(4-2-9)21(19,20)14-7-5-10(6-8-14)13(17)18/h1-4,10H,5-8H2,(H,15,16)(H,17,18)