4-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]butane-1-sulfonic acid Openeye Name: 4-[3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]butane-1-sulfonic acid CAS Name: 4-[3-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]-1-butanesulfonic acid IUPAC Name: 4-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]butane-1-sulfonic acid Traditional Name: 4-[3-[(1-isoamylbenzimidazol-2-yl)methyl]-2-keto-benzimidazol-1-yl]butane-1-sulfonic acid Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O4S/c1-18(2)13-15-26-20-10-4-3-9-19(20)25-23(26)17-28-22-12-6-5-11-21(22)27(24(28)29)14-7-8-16-33(30,31)32/h3-6,9-12,18H,7-8,13-17H2,1-2H3,(H,30,31,32)