1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(2,4-dimethylphenyl)sulfonylisonipecotic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)C

InChI

InChI=1S/C14H19NO4S/c1-10-3-4-13(11(2)9-10)20(18,19)15-7-5-12(6-8-15)14(16)17/h3-4,9,12H,5-8H2,1-2H3,(H,16,17)