1-(4-bromophenyl)sulfonyl-4-methyl-piperidine-4-carboxylic acid

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-methyl-piperidine-4-carboxylic acid Openeye Name: 1-(4-bromophenyl)sulfonyl-4-methyl-piperidine-4-carboxylic acid CAS Name: 1-(4-bromophenyl)sulfonyl-4-methyl-4-piperidinecarboxylic acid IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid Traditional Name: 1-brosyl-4-methyl-isonipecotic acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O

InChI

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