Structural Complex
Chemical ID: 26E
IUPAC Name: 7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane
Formal Charge: 0
Type: NON-POLYMER
Physiochemical Descriptor:
Formula: C3 H5 B9 N2 O2 S
Molecular weight: 230.448
Hydrogen Bond Acceptor:
Hydrogen Bond Donor:
Rotatable Bonds:
Heavy Atoms:
Systematic name
Program Version Descriptor
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.03 InChI=1S/C3H5B9N2O2S/c13-17(15,16)14-1-3-2-4-6-5(3)9(3)7(2,3)8(2,4)10(4,6)11(5,6,9)12(7,8,9)10/h14H,1H2,(H2,13,15,16)
InChIKey InChI 1.03 VRKHBQSBPLXCRB-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 N[S](=O)(=O)NC[C+]123[B-]45[B-]67[B+]89[C@@]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15
SMILES CACTVS 3.385 N[S](=O)(=O)NC[C+]123[B-]45[B-]67[B+]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15
SMILES_CANONICAL OpenEye OEToolkits 1.7.6 B123B45B167B289B31B823B966B744B622[C@]45C321CNS(=O)(=O)N
SMILES OpenEye OEToolkits 1.7.6 B123B45B167B289B31B823B966B744B622C45C321CNS(=O)(=O)N
Feedback Form
Name
Email
Institute
Feedback