1-(5-bromanyl-2-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(5-bromanyl-2-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylic acid Openeye Name: 1-(5-bromo-2-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylic acid CAS Name: 1-(5-bromo-2-methyl-4-methylsulfonylphenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(5-bromo-2-methyl-4-methylsulfonylphenyl)piperidine-3-carboxylic acid Traditional Name: 1-(5-bromo-4-mesyl-2-methyl-phenyl)nipecotic acid Formula: C14H18BrNO4S MolecularWeight: 376.26602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO4S/c1-9-6-13(21(2,19)20)11(15)7-12(9)16-5-3-4-10(8-16)14(17)18/h6-7,10H,3-5,8H2,1-2H3,(H,17,18)