3-[3-[[1-(2-diethoxyphosphorylethyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[3-[[1-(2-diethoxyphosphorylethyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[3-[[1-(2-diethoxyphosphorylethyl)benzimidazol-2-yl]methyl]-2-oxo-benzimidazol-1-yl]propane-1-sulfonic acid CAS Name: 3-[3-[[1-(2-diethoxyphosphorylethyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]-1-propanesulfonic acid IUPAC Name: 3-[3-[[1-(2-diethoxyphosphorylethyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[3-[[1-(2-diethoxyphosphorylethyl)benzimidazol-2-yl]methyl]-2-keto-benzimidazol-1-yl]propane-1-sulfonic acid Formula: C24H31N4O7PS MolecularWeight: 550.564301

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CCCS(=O)(=O)O)OCC

Isomeric SMILES

CCOP(=O)(CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CCCS(=O)(=O)O)OCC

InChI

InChI=1S/C24H31N4O7PS/c1-3-34-36(30,35-4-2)16-15-26-20-11-6-5-10-19(20)25-23(26)18-28-22-13-8-7-12-21(22)27(24(28)29)14-9-17-37(31,32)33/h5-8,10-13H,3-4,9,14-18H2,1-2H3,(H,31,32,33)