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

Systemtic Name: tert-butyl [3-[2-butyl-6-[methylsulfonyl(phenethyl)amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-6-[methylsulfonyl(phenethyl)amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-[methylsulfonyl(phenethyl)amino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-6-[methylsulfonyl(phenethyl)amino]benzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-6-[mesyl(phenethyl)amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C38H43N3O5S MolecularWeight: 653.83012

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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)N(CCC5=CC=CC=C5)S(=O)(=O)C

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)N(CCC5=CC=CC=C5)S(=O)(=O)C

InChI

InChI=1S/C38H43N3O5S/c1-7-8-19-35-39-32-22-20-30(40(47(6,43)44)25-24-28-15-11-9-12-16-28)26-34(32)41(35)33-23-21-31(29-17-13-10-14-18-29)36(27(33)2)45-37(42)46-38(3,4)5/h9-18,20-23,26H,7-8,19,24-25H2,1-6H3