1-(phenylsulfonyl)piperidine-4,4-dicarboxylic acid

Systemtic Name: 1-(phenylsulfonyl)piperidine-4,4-dicarboxylic acid Openeye Name: 1-(benzenesulfonyl)piperidine-4,4-dicarboxylic acid CAS Name: 1-(benzenesulfonyl)piperidine-4,4-dicarboxylic acid IUPAC Name: 1-(benzenesulfonyl)piperidine-4,4-dicarboxylic acid Traditional Name: 1-besylpiperidine-4,4-dicarboxylic acid Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)O)C(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1(C(=O)O)C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

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