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

Systemtic Name: 3-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]propane-1-sulfonic acid CAS Name: 3-[3-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]-1-propanesulfonic acid IUPAC Name: 3-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[3-[(1-isoamylbenzimidazol-2-yl)methyl]-2-keto-benzimidazol-1-yl]propane-1-sulfonic acid Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CCCS(=O)(=O)O

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CCCS(=O)(=O)O

InChI

InChI=1S/C23H28N4O4S/c1-17(2)12-14-25-19-9-4-3-8-18(19)24-22(25)16-27-21-11-6-5-10-20(21)26(23(27)28)13-7-15-32(29,30)31/h3-6,8-11,17H,7,12-16H2,1-2H3,(H,29,30,31)