[4-bromanyl-2-[(4-methylphenyl)sulfonyloxymethyl]pyrrol-1-yl]-methyl-borinic acid

Systemtic Name: [4-bromanyl-2-[(4-methylphenyl)sulfonyloxymethyl]pyrrol-1-yl]-methyl-borinic acid Openeye Name: [4-bromo-2-(p-tolylsulfonyloxymethyl)pyrrol-1-yl]-methyl-borinic acid CAS Name: [4-bromo-2-[(4-methylphenyl)sulfonyloxymethyl]-1-pyrrolyl]-methylborinic acid IUPAC Name: [4-bromo-2-[(4-methylphenyl)sulfonyloxymethyl]pyrrol-1-yl]-methylborinic acid Traditional Name: [4-bromo-2-(tosyloxymethyl)pyrrol-1-yl]-methyl-borinic acid Formula: C13H15BBrNO4S MolecularWeight: 372.0425

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1C=C(C=C1COS(=O)(=O)C2=CC=C(C=C2)C)Br)O

Isomeric SMILES

B(C)(N1C=C(C=C1COS(=O)(=O)C2=CC=C(C=C2)C)Br)O

InChI

InChI=1S/C13H15BBrNO4S/c1-10-3-5-13(6-4-10)21(18,19)20-9-12-7-11(15)8-16(12)14(2)17/h3-8,17H,9H2,1-2H3