1-(4-bromanyl-2,5-dimethyl-phenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(4-bromanyl-2,5-dimethyl-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(4-bromo-2,5-dimethyl-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(4-bromo-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(4-bromo-2,5-dimethyl-phenyl)sulfonylisonipecotic acid Formula: C14H18BrNO4S MolecularWeight: 376.26602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)S(=O)(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)S(=O)(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H18BrNO4S/c1-9-8-13(10(2)7-12(9)15)21(19,20)16-5-3-11(4-6-16)14(17)18/h7-8,11H,3-6H2,1-2H3,(H,17,18)