N-[2-(4-methylphenyl)sulfonyl-1-oxidanyl-2,3,1-benzodiazaborinin-7-yl]ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-1-oxidanyl-2,3,1-benzodiazaborinin-7-yl]ethanamide Openeye Name: N-[1-hydroxy-2-(p-tolylsulfonyl)-2,3,1-benzodiazaborinin-7-yl]acetamide CAS Name: N-[1-hydroxy-2-(4-methylphenyl)sulfonyl-2,3,1-benzodiazaborin-7-yl]acetamide IUPAC Name: N-[1-hydroxy-2-(4-methylphenyl)sulfonyl-2,3,1-benzodiazaborinin-7-yl]acetamide Traditional Name: N-(1-hydroxy-2-tosyl-2,3,1-benzodiazaborin-7-yl)acetamide Formula: C16H16BN3O4S MolecularWeight: 357.19194

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Descriptors Computed from Structure

Canonical SMILES:

B1(C2=C(C=CC(=C2)NC(=O)C)C=NN1S(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

B1(C2=C(C=CC(=C2)NC(=O)C)C=NN1S(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C16H16BN3O4S/c1-11-3-7-15(8-4-11)25(23,24)20-17(22)16-9-14(19-12(2)21)6-5-13(16)10-18-20/h3-10,22H,1-2H3,(H,19,21)