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

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(3-bromo-4-methoxy-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(3-bromo-4-methoxy-phenyl)sulfonylisonipecotic acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)Br

InChI

InChI=1S/C13H16BrNO5S/c1-20-12-3-2-10(8-11(12)14)21(18,19)15-6-4-9(5-7-15)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)