tert-butyl 2-[4-[[2-butyl-6-(phenylsulfonyloxy)benzimidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[2-butyl-6-(phenylsulfonyloxy)benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[6-(benzenesulfonyloxy)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[6-(benzenesulfonyloxy)-2-butyl-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[6-(benzenesulfonyloxy)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[(6-besyloxy-2-butyl-benzimidazol-1-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C35H36N2O5S MolecularWeight: 596.73574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)OS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)OS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C35H36N2O5S/c1-5-6-16-33-36-31-22-21-27(42-43(39,40)28-12-8-7-9-13-28)23-32(31)37(33)24-25-17-19-26(20-18-25)29-14-10-11-15-30(29)34(38)41-35(2,3)4/h7-15,17-23H,5-6,16,24H2,1-4H3