1-[methyl(oxidanyl)boranyl]-4-(4-phenoxyphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[methyl(oxidanyl)boranyl]-4-(4-phenoxyphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-[hydroxy(methyl)boranyl]-4-(4-phenoxyphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-[hydroxy(methyl)boranyl]-4-(4-phenoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[hydroxy(methyl)boranyl]-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[hydroxy(methyl)boranyl]-4-(4-phenoxyphenyl)sulfonyl-isonipecotic acid Formula: C19H22BNO6S MolecularWeight: 403.25708

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)O

Isomeric SMILES

B(C)(N1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)O

InChI

InChI=1S/C19H22BNO6S/c1-20(24)21-13-11-19(12-14-21,18(22)23)28(25,26)17-9-7-16(8-10-17)27-15-5-3-2-4-6-15/h2-10,24H,11-14H2,1H3,(H,22,23)