[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(oxidanylcarbamoyl)piperidin-1-yl]-methyl-borinic acid

Systemtic Name: [4-(4-but-2-ynoxyphenyl)sulfonyl-4-(oxidanylcarbamoyl)piperidin-1-yl]-methyl-borinic acid Openeye Name: [4-(4-but-2-ynoxyphenyl)sulfonyl-4-(hydroxycarbamoyl)-1-piperidyl]-methyl-borinic acid CAS Name: [4-(4-but-2-ynoxyphenyl)sulfonyl-4-[(hydroxyamino)-oxomethyl]-1-piperidinyl]-methylborinic acid IUPAC Name: [4-(4-but-2-ynoxyphenyl)sulfonyl-4-(hydroxycarbamoyl)piperidin-1-yl]-methylborinic acid Traditional Name: [4-(4-but-2-ynoxyphenyl)sulfonyl-4-(hydroxycarbamoyl)piperidino]-methyl-borinic acid Formula: C17H23BN2O6S MolecularWeight: 394.25032

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCC(CC1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OCC#CC)O

Isomeric SMILES

B(C)(N1CCC(CC1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OCC#CC)O

InChI

InChI=1S/C17H23BN2O6S/c1-3-4-13-26-14-5-7-15(8-6-14)27(24,25)17(16(21)19-23)9-11-20(12-10-17)18(2)22/h5-8,22-23H,9-13H2,1-2H3,(H,19,21)