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

Systemtic Name: N,N-dimethyl-2-(4-methylphenyl)sulfonyl-1-oxidanyl-2,3,1-benzodiazaborinin-7-amine Openeye Name: 1-hydroxy-N,N-dimethyl-2-(p-tolylsulfonyl)-2,3,1-benzodiazaborinin-7-amine CAS Name: 1-hydroxy-N,N-dimethyl-2-(4-methylphenyl)sulfonyl-2,3,1-benzodiazaborin-7-amine IUPAC Name: 1-hydroxy-N,N-dimethyl-2-(4-methylphenyl)sulfonyl-2,3,1-benzodiazaborinin-7-amine Traditional Name: (1-hydroxy-2-tosyl-2,3,1-benzodiazaborin-7-yl)-dimethyl-amine Formula: C16H18BN3O3S MolecularWeight: 343.20842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BN3O3S/c1-12-4-8-15(9-5-12)24(22,23)20-17(21)16-10-14(19(2)3)7-6-13(16)11-18-20/h4-11,21H,1-3H3