1-(3-carboxyphenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(3-carboxyphenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(3-carboxyphenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(3-carboxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(3-carboxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(3-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=CC(=C2)C(=O)O

Isomeric SMILES

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

InChI

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