[3-acetamido-4-(2-methyl-3-methylsulfonyloxy-propyl)naphthalen-1-yl]oxy-methyl-borinic acid

Systemtic Name: [3-acetamido-4-(2-methyl-3-methylsulfonyloxy-propyl)naphthalen-1-yl]oxy-methyl-borinic acid Openeye Name: [3-acetamido-4-(2-methyl-3-methylsulfonyloxy-propyl)-1-naphthyl]oxy-methyl-borinic acid CAS Name: [3-acetamido-4-(2-methyl-3-methylsulfonyloxypropyl)-1-naphthalenyl]oxy-methylborinic acid IUPAC Name: [3-acetamido-4-(2-methyl-3-methylsulfonyloxypropyl)naphthalen-1-yl]oxy-methylborinic acid Traditional Name: [3-acetamido-4-(2-methyl-3-methylsulfonyloxy-propyl)-1-naphthoxy]-methyl-borinic acid Formula: C18H24BNO6S MolecularWeight: 393.26226

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(O)OC1=CC(=C(C2=CC=CC=C21)CC(C)COS(=O)(=O)C)NC(=O)C

Isomeric SMILES

B(C)(O)OC1=CC(=C(C2=CC=CC=C21)CC(C)COS(=O)(=O)C)NC(=O)C

InChI

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