4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-[methyl(oxidanyl)boranyl]piperidine-4-carboxylic acid

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-[methyl(oxidanyl)boranyl]piperidine-4-carboxylic acid Openeye Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-[hydroxy(methyl)boranyl]piperidine-4-carboxylic acid CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-[hydroxy(methyl)boranyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-[hydroxy(methyl)boranyl]piperidine-4-carboxylic acid Traditional Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-[hydroxy(methyl)boranyl]isonipecotic acid Formula: C18H24BNO6S MolecularWeight: 393.26226

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCC(CC1)(CS(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)O)O

Isomeric SMILES

B(C)(N1CCC(CC1)(CS(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)O)O

InChI

InChI=1S/C18H24BNO6S/c1-3-4-13-26-15-5-7-16(8-6-15)27(24,25)14-18(17(21)22)9-11-20(12-10-18)19(2)23/h5-8,23H,9-14H2,1-2H3,(H,21,22)