1-(2-chloranyl-6-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(2-chloranyl-6-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylic acid Openeye Name: 1-(2-chloro-6-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylic acid CAS Name: 1-(2-chloro-6-methyl-4-methylsulfonylphenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(2-chloro-6-methyl-4-methylsulfonylphenyl)piperidine-3-carboxylic acid Traditional Name: 1-(2-chloro-4-mesyl-6-methyl-phenyl)nipecotic acid Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2CCCC(C2)C(=O)O)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1N2CCCC(C2)C(=O)O)Cl)S(=O)(=O)C

InChI

InChI=1S/C14H18ClNO4S/c1-9-6-11(21(2,19)20)7-12(15)13(9)16-5-3-4-10(8-16)14(17)18/h6-7,10H,3-5,8H2,1-2H3,(H,17,18)