1-(4-bromanyl-3-methyl-phenyl)sulfonylpiperidine-2-carboxylic acid

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)sulfonylpiperidine-2-carboxylic acid Openeye Name: 1-(4-bromo-3-methyl-phenyl)sulfonylpiperidine-2-carboxylic acid CAS Name: 1-(4-bromo-3-methylphenyl)sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 1-(4-bromo-3-methylphenyl)sulfonylpiperidine-2-carboxylic acid Traditional Name: 1-(4-bromo-3-methyl-phenyl)sulfonylpipecolinic acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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