4-methyl-N-[[1-oxidanyl-6-(phenylsulfonylamino)-3H-2,1-benzoxaborol-3-yl]methyl]pentanamide

Systemtic Name: 4-methyl-N-[[1-oxidanyl-6-(phenylsulfonylamino)-3H-2,1-benzoxaborol-3-yl]methyl]pentanamide Openeye Name: N-[[6-(benzenesulfonamido)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]methyl]-4-methyl-pentanamide CAS Name: N-[[6-(benzenesulfonamido)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]methyl]-4-methylpentanamide IUPAC Name: N-[[6-(benzenesulfonamido)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]methyl]-4-methylpentanamide Traditional Name: N-[[6-(benzenesulfonamido)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]methyl]-4-methyl-valeramide Formula: C20H25BN2O5S MolecularWeight: 416.2989

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Descriptors Computed from Structure

Canonical SMILES:

B1(C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)C(O1)CNC(=O)CCC(C)C)O

Isomeric SMILES

B1(C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)C(O1)CNC(=O)CCC(C)C)O

InChI

InChI=1S/C20H25BN2O5S/c1-14(2)8-11-20(24)22-13-19-17-10-9-15(12-18(17)21(25)28-19)23-29(26,27)16-6-4-3-5-7-16/h3-7,9-10,12,14,19,23,25H,8,11,13H2,1-2H3,(H,22,24)