methyl-[4-oxidanyl-2-(oxidanylcarbamoyl)-2-(4-phenoxyphenyl)sulfonyl-pyrrolidin-1-yl]borinic acid

Systemtic Name: methyl-[4-oxidanyl-2-(oxidanylcarbamoyl)-2-(4-phenoxyphenyl)sulfonyl-pyrrolidin-1-yl]borinic acid Openeye Name: [4-hydroxy-2-(hydroxycarbamoyl)-2-(4-phenoxyphenyl)sulfonyl-pyrrolidin-1-yl]-methyl-borinic acid CAS Name: [4-hydroxy-2-[(hydroxyamino)-oxomethyl]-2-(4-phenoxyphenyl)sulfonyl-1-pyrrolidinyl]-methylborinic acid IUPAC Name: [4-hydroxy-2-(hydroxycarbamoyl)-2-(4-phenoxyphenyl)sulfonylpyrrolidin-1-yl]-methylborinic acid Traditional Name: [4-hydroxy-2-(hydroxycarbamoyl)-2-(4-phenoxyphenyl)sulfonyl-pyrrolidino]-methyl-borinic acid Formula: C18H21BN2O7S MolecularWeight: 420.24454

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CC(CC1(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)O)O

Isomeric SMILES

B(C)(N1CC(CC1(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)O)O

InChI

InChI=1S/C18H21BN2O7S/c1-19(24)21-12-13(22)11-18(21,17(23)20-25)29(26,27)16-9-7-15(8-10-16)28-14-5-3-2-4-6-14/h2-10,13,22,24-25H,11-12H2,1H3,(H,20,23)