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

Systemtic Name: 2-[[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]methyl]benzenesulfonic acid Openeye Name: 2-[[3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]methyl]benzenesulfonic acid CAS Name: 2-[[3-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]methyl]benzenesulfonic acid IUPAC Name: 2-[[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]benzenesulfonic acid Traditional Name: 2-[[3-[(1-isoamylbenzimidazol-2-yl)methyl]-2-keto-benzimidazol-1-yl]methyl]besylic acid Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5S(=O)(=O)O

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5S(=O)(=O)O

InChI

InChI=1S/C27H28N4O4S/c1-19(2)15-16-29-22-11-5-4-10-21(22)28-26(29)18-31-24-13-7-6-12-23(24)30(27(31)32)17-20-9-3-8-14-25(20)36(33,34)35/h3-14,19H,15-18H2,1-2H3,(H,33,34,35)