[4-bromanyl-2-[3-(4-methylphenyl)sulfonyloxypropyl]pyrrol-1-yl]-methyl-borinic acid

Systemtic Name: [4-bromanyl-2-[3-(4-methylphenyl)sulfonyloxypropyl]pyrrol-1-yl]-methyl-borinic acid Openeye Name: [4-bromo-2-[3-(p-tolylsulfonyloxy)propyl]pyrrol-1-yl]-methyl-borinic acid CAS Name: [4-bromo-2-[3-(4-methylphenyl)sulfonyloxypropyl]-1-pyrrolyl]-methylborinic acid IUPAC Name: [4-bromo-2-[3-(4-methylphenyl)sulfonyloxypropyl]pyrrol-1-yl]-methylborinic acid Traditional Name: [4-bromo-2-(3-tosyloxypropyl)pyrrol-1-yl]-methyl-borinic acid Formula: C15H19BBrNO4S MolecularWeight: 400.09566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1C=C(C=C1CCCOS(=O)(=O)C2=CC=C(C=C2)C)Br)O

Isomeric SMILES

B(C)(N1C=C(C=C1CCCOS(=O)(=O)C2=CC=C(C=C2)C)Br)O

InChI

InChI=1S/C15H19BBrNO4S/c1-12-5-7-15(8-6-12)23(20,21)22-9-3-4-14-10-13(17)11-18(14)16(2)19/h5-8,10-11,19H,3-4,9H2,1-2H3