1-[methyl(oxidanyl)boranyl]-4-oxidanyl-2-(4-phenoxyphenyl)sulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[methyl(oxidanyl)boranyl]-4-oxidanyl-2-(4-phenoxyphenyl)sulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-[hydroxy(methyl)boranyl]-2-(4-phenoxyphenyl)sulfonyl-pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-1-[hydroxy(methyl)boranyl]-2-(4-phenoxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-hydroxy-1-[hydroxy(methyl)boranyl]-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-[hydroxy(methyl)boranyl]-2-(4-phenoxyphenyl)sulfonyl-proline Formula: C18H20BNO7S MolecularWeight: 405.2299

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CC(CC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)O)O

Isomeric SMILES

B(C)(N1CC(CC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)O)O

InChI

InChI=1S/C18H20BNO7S/c1-19(24)20-12-13(21)11-18(20,17(22)23)28(25,26)16-9-7-15(8-10-16)27-14-5-3-2-4-6-14/h2-10,13,21,24H,11-12H2,1H3,(H,22,23)