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

Systemtic Name: [2-butyl-3-[[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-phenyl-phenyl]methyl]benzimidazol-5-yl] benzenesulfonate Openeye Name: [3-[(2-tert-butoxycarbonyloxy-3-phenyl-phenyl)methyl]-2-butyl-benzimidazol-5-yl] benzenesulfonate CAS Name: benzenesulfonic acid [2-butyl-3-[[2-[(2-methylpropan-2-yl)oxy-oxomethoxy]-3-phenylphenyl]methyl]-5-benzimidazolyl] ester IUPAC Name: [2-butyl-3-[[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-3-phenylphenyl]methyl]benzimidazol-5-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(2-tert-butoxycarbonyloxy-3-phenyl-benzyl)-2-butyl-benzimidazol-5-yl] ester Formula: C35H36N2O6S MolecularWeight: 612.73514

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H36N2O6S/c1-5-6-20-32-36-30-22-21-27(43-44(39,40)28-17-11-8-12-18-28)23-31(30)37(32)24-26-16-13-19-29(25-14-9-7-10-15-25)33(26)41-34(38)42-35(2,3)4/h7-19,21-23H,5-6,20,24H2,1-4H3