tert-butyl [3-[2-butyl-6-[5-(4-methoxyphenyl)sulfonylpentylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[2-butyl-6-[5-(4-methoxyphenyl)sulfonylpentylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-6-[5-(4-methoxyphenyl)sulfonylpentylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-[5-(4-methoxyphenyl)sulfonylpentylamino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-6-[5-(4-methoxyphenyl)sulfonylpentylamino]benzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-6-[5-(4-methoxyphenyl)sulfonylpentylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C41H49N3O6S MolecularWeight: 711.90926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C=C(C=C2)NCCCCCS(=O)(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C=C(C=C2)NCCCCCS(=O)(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C41H49N3O6S/c1-7-8-17-38-43-35-24-18-31(42-26-13-10-14-27-51(46,47)33-21-19-32(48-6)20-22-33)28-37(35)44(38)36-25-23-34(30-15-11-9-12-16-30)39(29(36)2)49-40(45)50-41(3,4)5/h9,11-12,15-16,18-25,28,42H,7-8,10,13-14,17,26-27H2,1-6H3