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

Systemtic Name: 2-[4-[[2-butyl-4-(phenylsulfonyloxy)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(benzenesulfonyloxy)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-(benzenesulfonyloxy)-2-butyl-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(benzenesulfonyloxy)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(4-besyloxy-2-butyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid Formula: C31H28N2O5S MolecularWeight: 540.62942

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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=C2OS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC=C2OS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H28N2O5S/c1-2-3-16-29-32-30-27(14-9-15-28(30)38-39(36,37)24-10-5-4-6-11-24)33(29)21-22-17-19-23(20-18-22)25-12-7-8-13-26(25)31(34)35/h4-15,17-20H,2-3,16,21H2,1H3,(H,34,35)