N-[3-chloranyl-4-[(6-methyl-1-oxidanyl-2,3,1-benzodiazaborinin-2-yl)sulfonyl]phenyl]ethanamide

Systemtic Name: N-[3-chloranyl-4-[(6-methyl-1-oxidanyl-2,3,1-benzodiazaborinin-2-yl)sulfonyl]phenyl]ethanamide Openeye Name: N-[3-chloro-4-[(1-hydroxy-6-methyl-2,3,1-benzodiazaborinin-2-yl)sulfonyl]phenyl]acetamide CAS Name: N-[3-chloro-4-[(1-hydroxy-6-methyl-2,3,1-benzodiazaborin-2-yl)sulfonyl]phenyl]acetamide IUPAC Name: N-[3-chloro-4-[(1-hydroxy-6-methyl-2,3,1-benzodiazaborinin-2-yl)sulfonyl]phenyl]acetamide Traditional Name: N-[3-chloro-4-[(1-hydroxy-6-methyl-2,3,1-benzodiazaborin-2-yl)sulfonyl]phenyl]acetamide Formula: C16H15BClN3O4S MolecularWeight: 391.637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BClN3O4S/c1-10-3-5-14-12(7-10)9-19-21(17(14)23)26(24,25)16-6-4-13(8-15(16)18)20-11(2)22/h3-9,23H,1-2H3,(H,20,22)