1-(2,4,5-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(2,4,5-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(2,4,5-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(2,4,5-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(2,4,5-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(2,4,5-trimethylphenyl)sulfonylisonipecotic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCC(CC2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCC(CC2)C(=O)O)C

InChI

InChI=1S/C15H21NO4S/c1-10-8-12(3)14(9-11(10)2)21(19,20)16-6-4-13(5-7-16)15(17)18/h8-9,13H,4-7H2,1-3H3,(H,17,18)