2-[4-[(2-butyl-5-sulfo-benzimidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-5-sulfo-benzimidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5-sulfo-benzimidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5-sulfo-1-benzimidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5-sulfobenzimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-sulfo-benzimidazol-1-yl)methyl]phenyl]benzoic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC(=C2)S(=O)(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC(=C2)S(=O)(=O)O

InChI

InChI=1S/C25H24N2O5S/c1-2-3-8-24-26-22-15-19(33(30,31)32)13-14-23(22)27(24)16-17-9-11-18(12-10-17)20-6-4-5-7-21(20)25(28)29/h4-7,9-15H,2-3,8,16H2,1H3,(H,28,29)(H,30,31,32)