N-[4-(2-methyl-3-propan-2-yl-1,3,2-oxazaborolidin-5-yl)phenyl]methanesulfonamide

Systemtic Name: N-[4-(2-methyl-3-propan-2-yl-1,3,2-oxazaborolidin-5-yl)phenyl]methanesulfonamide Openeye Name: N-[4-(3-isopropyl-2-methyl-1,3,2-oxazaborolidin-5-yl)phenyl]methanesulfonamide CAS Name: N-[4-(2-methyl-3-propan-2-yl-1,3,2-oxazaborolidin-5-yl)phenyl]methanesulfonamide IUPAC Name: N-[4-(2-methyl-3-propan-2-yl-1,3,2-oxazaborolidin-5-yl)phenyl]methanesulfonamide Traditional Name: N-[4-(3-isopropyl-2-methyl-1,3,2-oxazaborolidin-5-yl)phenyl]methanesulfonamide Formula: C13H21BN2O3S MolecularWeight: 296.19344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(N(CC(O1)C2=CC=C(C=C2)NS(=O)(=O)C)C(C)C)C

Isomeric SMILES

B1(N(CC(O1)C2=CC=C(C=C2)NS(=O)(=O)C)C(C)C)C

InChI

InChI=1S/C13H21BN2O3S/c1-10(2)16-9-13(19-14(16)3)11-5-7-12(8-6-11)15-20(4,17)18/h5-8,10,13,15H,9H2,1-4H3