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

Systemtic Name: 1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxylic acid Openeye Name: 1-(4-isopropylsulfonylphenyl)piperidine-4-carboxylic acid CAS Name: 1-(4-propan-2-ylsulfonylphenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-isopropylsulfonylphenyl)isonipecotic 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)N2CCC(CC2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c1-11(2)21(19,20)14-5-3-13(4-6-14)16-9-7-12(8-10-16)15(17)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,18)