2-(4-methylphenyl)sulfonyl-1-oxidanyl-6-pyrrolidin-1-yl-2,3,1-benzodiazaborinine

Systemtic Name: 2-(4-methylphenyl)sulfonyl-1-oxidanyl-6-pyrrolidin-1-yl-2,3,1-benzodiazaborinine Openeye Name: 1-hydroxy-2-(p-tolylsulfonyl)-6-pyrrolidin-1-yl-2,3,1-benzodiazaborinine CAS Name: 1-hydroxy-2-(4-methylphenyl)sulfonyl-6-(1-pyrrolidinyl)-2,3,1-benzodiazaborine IUPAC Name: 1-hydroxy-2-(4-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3,1-benzodiazaborinine Traditional Name: 1-hydroxy-6-pyrrolidino-2-tosyl-2,3,1-benzodiazaborine Formula: C18H20BN3O3S MolecularWeight: 369.2457

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Descriptors Computed from Structure

Canonical SMILES:

B1(C2=C(C=C(C=C2)N3CCCC3)C=NN1S(=O)(=O)C4=CC=C(C=C4)C)O

Isomeric SMILES

B1(C2=C(C=C(C=C2)N3CCCC3)C=NN1S(=O)(=O)C4=CC=C(C=C4)C)O

InChI

InChI=1S/C18H20BN3O3S/c1-14-4-7-17(8-5-14)26(24,25)22-19(23)18-9-6-16(12-15(18)13-20-22)21-10-2-3-11-21/h4-9,12-13,23H,2-3,10-11H2,1H3