5-chloranyl-N,N-dimethyl-2-(4-methylphenyl)sulfonyl-1-oxidanyl-2,3,1-benzodiazaborinin-7-amine

Systemtic Name: 5-chloranyl-N,N-dimethyl-2-(4-methylphenyl)sulfonyl-1-oxidanyl-2,3,1-benzodiazaborinin-7-amine Openeye Name: 5-chloro-1-hydroxy-N,N-dimethyl-2-(p-tolylsulfonyl)-2,3,1-benzodiazaborinin-7-amine CAS Name: 5-chloro-1-hydroxy-N,N-dimethyl-2-(4-methylphenyl)sulfonyl-2,3,1-benzodiazaborin-7-amine IUPAC Name: 5-chloro-1-hydroxy-N,N-dimethyl-2-(4-methylphenyl)sulfonyl-2,3,1-benzodiazaborinin-7-amine Traditional Name: (5-chloro-1-hydroxy-2-tosyl-2,3,1-benzodiazaborin-7-yl)-dimethyl-amine Formula: C16H17BClN3O3S MolecularWeight: 377.65348

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Descriptors Computed from Structure

Canonical SMILES:

B1(C2=CC(=CC(=C2C=NN1S(=O)(=O)C3=CC=C(C=C3)C)Cl)N(C)C)O

Isomeric SMILES

B1(C2=CC(=CC(=C2C=NN1S(=O)(=O)C3=CC=C(C=C3)C)Cl)N(C)C)O

InChI

InChI=1S/C16H17BClN3O3S/c1-11-4-6-13(7-5-11)25(23,24)21-17(22)15-8-12(20(2)3)9-16(18)14(15)10-19-21/h4-10,22H,1-3H3