1-[bromanyl(phenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[bromanyl(phenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-[bromo(phenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-[bromo(phenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[bromo(phenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[bromo(phenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-isonipecotic acid Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(C3=CC=CC=C3)Br)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)C(C3=CC=CC=C3)Br)C(=O)O

InChI

InChI=1S/C20H22BrNO5S/c1-27-16-7-9-17(10-8-16)28(25,26)20(19(23)24)11-13-22(14-12-20)18(21)15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,23,24)