1-(4-propan-2-ylsulfonylphenyl)piperidine-2-carboxylic acid

Systemtic Name: 1-(4-propan-2-ylsulfonylphenyl)piperidine-2-carboxylic acid Openeye Name: 1-(4-isopropylsulfonylphenyl)piperidine-2-carboxylic acid CAS Name: 1-(4-propan-2-ylsulfonylphenyl)-2-piperidinecarboxylic acid IUPAC Name: 1-(4-propan-2-ylsulfonylphenyl)piperidine-2-carboxylic acid Traditional Name: 1-(4-isopropylsulfonylphenyl)pipecolinic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)N2CCCCC2C(=O)O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)N2CCCCC2C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-11(2)21(19,20)13-8-6-12(7-9-13)16-10-4-3-5-14(16)15(17)18/h6-9,11,14H,3-5,10H2,1-2H3,(H,17,18)