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methylboronic acid; N-[4-[1-oxidanyl-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
methylboronic acid; N-[4-[1-oxidanyl-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
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Descriptors Computed from Structure
Canonical SMILES:
B(C)(O)O.CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O
Isomeric SMILES
B(C)(O)O.CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O
InChI
InChI=1S/C12H20N2O3S.CH5BO2/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;1-2(3)4/h4-7,9,12-15H,8H2,1-3H3;3-4H,1H3
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