[5-[[2-butyl-6-[[6-(cyclohexylamino)-6-oxidanylidene-hexyl]amino]benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-(trifluoromethylsulfonyl)carbamate

Systemtic Name: [5-[[2-butyl-6-[[6-(cyclohexylamino)-6-oxidanylidene-hexyl]amino]benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-(trifluoromethylsulfonyl)carbamate Openeye Name: [5-[[2-butyl-6-[[6-(cyclohexylamino)-6-oxo-hexyl]amino]benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-(trifluoromethylsulfonyl)carbamate CAS Name: N-(trifluoromethylsulfonyl)carbamic acid [5-[[2-butyl-6-[[6-(cyclohexylamino)-6-oxohexyl]amino]-1-benzimidazolyl]methyl]-2-phenylphenyl] ester IUPAC Name: [5-[[2-butyl-6-[[6-(cyclohexylamino)-6-oxohexyl]amino]benzimidazol-1-yl]methyl]-2-phenylphenyl] N-(trifluoromethylsulfonyl)carbamate Traditional Name: N-triflylcarbamic acid [5-[[2-butyl-6-[[6-(cyclohexylamino)-6-keto-hexyl]amino]benzimidazol-1-yl]methyl]-2-phenyl-phenyl] ester Formula: C38H46F3N5O5S MolecularWeight: 741.86255

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)OC(=O)NS(=O)(=O)C(F)(F)F)C=C(C=C2)NCCCCCC(=O)NC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)OC(=O)NS(=O)(=O)C(F)(F)F)C=C(C=C2)NCCCCCC(=O)NC5CCCCC5

InChI

InChI=1S/C38H46F3N5O5S/c1-2-3-17-35-44-32-22-20-30(42-23-12-6-11-18-36(47)43-29-15-9-5-10-16-29)25-33(32)46(35)26-27-19-21-31(28-13-7-4-8-14-28)34(24-27)51-37(48)45-52(49,50)38(39,40)41/h4,7-8,13-14,19-22,24-25,29,42H,2-3,5-6,9-12,15-18,23,26H2,1H3,(H,43,47)(H,45,48)