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

Systemtic Name: tert-butyl [3-[2-butyl-6-[3-(4-methoxyphenyl)sulfonylpropylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-6-[3-(4-methoxyphenyl)sulfonylpropylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-[3-(4-methoxyphenyl)sulfonylpropylamino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-6-[3-(4-methoxyphenyl)sulfonylpropylamino]benzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-6-[3-(4-methoxyphenyl)sulfonylpropylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C39H45N3O6S MolecularWeight: 683.8561

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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)NCCCS(=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)NCCCS(=O)(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C39H45N3O6S/c1-7-8-15-36-41-33-22-16-29(40-24-12-25-49(44,45)31-19-17-30(46-6)18-20-31)26-35(33)42(36)34-23-21-32(28-13-10-9-11-14-28)37(27(34)2)47-38(43)48-39(3,4)5/h9-11,13-14,16-23,26,40H,7-8,12,15,24-25H2,1-6H3