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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)Br

InChI

InChI=1S/C13H16BrNO4S/c1-9-8-11(2-3-12(9)14)20(18,19)15-6-4-10(5-7-15)13(16)17/h2-3,8,10H,4-7H2,1H3,(H,16,17)