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

Systemtic Name: 1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(3-methylsulfonylphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(3-mesylphenyl)sulfonylisonipecotic acid Formula: C13H17NO6S2 MolecularWeight: 347.40718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6S2/c1-21(17,18)11-3-2-4-12(9-11)22(19,20)14-7-5-10(6-8-14)13(15)16/h2-4,9-10H,5-8H2,1H3,(H,15,16)