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

Systemtic Name: tert-butyl [3-[2-butyl-6-[3-(4-methylphenyl)sulfonylpropylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-6-[3-(p-tolylsulfonyl)propylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-[3-(4-methylphenyl)sulfonylpropylamino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-6-[3-(4-methylphenyl)sulfonylpropylamino]benzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-6-(3-tosylpropylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C39H45N3O5S MolecularWeight: 667.8567

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

InChI

InChI=1S/C39H45N3O5S/c1-7-8-15-36-41-33-22-18-30(40-24-12-25-48(44,45)31-19-16-27(2)17-20-31)26-35(33)42(36)34-23-21-32(29-13-10-9-11-14-29)37(28(34)3)46-38(43)47-39(4,5)6/h9-11,13-14,16-23,26,40H,7-8,12,15,24-25H2,1-6H3