1-(3-bromophenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(3-bromophenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(3-bromophenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(3-bromophenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)sulfonylisonipecotic acid Formula: C12H14BrNO4S MolecularWeight: 348.21286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C12H14BrNO4S/c13-10-2-1-3-11(8-10)19(17,18)14-6-4-9(5-7-14)12(15)16/h1-3,8-9H,4-7H2,(H,15,16)