[5-methoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]boronic acid

Systemtic Name: [5-methoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]boronic acid Openeye Name: [5-methoxy-1-(p-tolylsulfonyl)indol-3-yl]boronic acid CAS Name: [5-methoxy-1-(4-methylphenyl)sulfonyl-3-indolyl]boronic acid IUPAC Name: [5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]boronic acid Traditional Name: (5-methoxy-1-tosyl-indol-3-yl)boronic acid Formula: C16H16BNO5S MolecularWeight: 345.17794

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C)(O)O

Isomeric SMILES

B(C1=CN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C)(O)O

InChI

InChI=1S/C16H16BNO5S/c1-11-3-6-13(7-4-11)24(21,22)18-10-15(17(19)20)14-9-12(23-2)5-8-16(14)18/h3-10,19-20H,1-2H3