tert-butyl [3-[2-butyl-6-(propylsulfonylmethylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[2-butyl-6-(propylsulfonylmethylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-6-(propylsulfonylmethylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-(propylsulfonylmethylamino)-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-6-(propylsulfonylmethylamino)benzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-6-(propylsulfonylmethylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C33H41N3O5S MolecularWeight: 591.76074

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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)NCS(=O)(=O)CCC

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)NCS(=O)(=O)CCC

InChI

InChI=1S/C33H41N3O5S/c1-7-9-15-30-35-27-18-16-25(34-22-42(38,39)20-8-2)21-29(27)36(30)28-19-17-26(24-13-11-10-12-14-24)31(23(28)3)40-32(37)41-33(4,5)6/h10-14,16-19,21,34H,7-9,15,20,22H2,1-6H3