1-(2-bromanyl-4-methyl-phenyl)sulfonylpiperidine-2-carboxylic acid

Systemtic Name: 1-(2-bromanyl-4-methyl-phenyl)sulfonylpiperidine-2-carboxylic acid Openeye Name: 1-(2-bromo-4-methyl-phenyl)sulfonylpiperidine-2-carboxylic acid CAS Name: 1-(2-bromo-4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 1-(2-bromo-4-methylphenyl)sulfonylpiperidine-2-carboxylic acid Traditional Name: 1-(2-bromo-4-methyl-phenyl)sulfonylpipecolinic acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)O)Br

InChI

InChI=1S/C13H16BrNO4S/c1-9-5-6-12(10(14)8-9)20(18,19)15-7-3-2-4-11(15)13(16)17/h5-6,8,11H,2-4,7H2,1H3,(H,16,17)