4-[(6-bromanyl-1-oxidanyl-2,3,1-benzodiazaborinin-2-yl)sulfonyl]aniline

Systemtic Name: 4-[(6-bromanyl-1-oxidanyl-2,3,1-benzodiazaborinin-2-yl)sulfonyl]aniline Openeye Name: 4-[(6-bromo-1-hydroxy-2,3,1-benzodiazaborinin-2-yl)sulfonyl]aniline CAS Name: 4-[(6-bromo-1-hydroxy-2,3,1-benzodiazaborin-2-yl)sulfonyl]aniline IUPAC Name: 4-[(6-bromo-1-hydroxy-2,3,1-benzodiazaborinin-2-yl)sulfonyl]aniline Traditional Name: [4-[(6-bromo-1-hydroxy-2,3,1-benzodiazaborin-2-yl)sulfonyl]phenyl]amine Formula: C13H11BBrN3O3S MolecularWeight: 380.02474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BBrN3O3S/c15-10-1-6-13-9(7-10)8-17-18(14(13)19)22(20,21)12-4-2-11(16)3-5-12/h1-8,19H,16H2