1-(5-bromanyl-2-methyl-phenyl)sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(5-bromanyl-2-methyl-phenyl)sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-(5-bromo-2-methyl-phenyl)sulfonylpiperidine-3-carboxylic acid CAS Name: 1-(5-bromo-2-methylphenyl)sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-(5-bromo-2-methylphenyl)sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-(5-bromo-2-methyl-phenyl)sulfonylnipecotic acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C13H16BrNO4S/c1-9-4-5-11(14)7-12(9)20(18,19)15-6-2-3-10(8-15)13(16)17/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,17)