[2-butyl-3-[(2-carboxyoxy-3-phenyl-phenyl)methyl]benzimidazol-5-yl] benzenesulfonate

Systemtic Name: [2-butyl-3-[(2-carboxyoxy-3-phenyl-phenyl)methyl]benzimidazol-5-yl] benzenesulfonate Openeye Name: [2-butyl-3-[(2-carboxyoxy-3-phenyl-phenyl)methyl]benzimidazol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [2-butyl-3-[(2-carboxyoxy-3-phenylphenyl)methyl]-5-benzimidazolyl] ester IUPAC Name: [2-butyl-3-[(2-carboxyoxy-3-phenylphenyl)methyl]benzimidazol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-butyl-3-(2-carboxyoxy-3-phenyl-benzyl)benzimidazol-5-yl] ester Formula: C31H28N2O6S MolecularWeight: 556.62882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)OS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)OS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H28N2O6S/c1-2-3-17-29-32-27-19-18-24(39-40(36,37)25-14-8-5-9-15-25)20-28(27)33(29)21-23-13-10-16-26(30(23)38-31(34)35)22-11-6-4-7-12-22/h4-16,18-20H,2-3,17,21H2,1H3,(H,34,35)