[5-[[2-butyl-5-(butylcarbamoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-(trifluoromethylsulfonyl)carbamate

Systemtic Name: [5-[[2-butyl-5-(butylcarbamoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-(trifluoromethylsulfonyl)carbamate Openeye Name: [5-[[2-butyl-5-(butylcarbamoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-(trifluoromethylsulfonyl)carbamate CAS Name: N-(trifluoromethylsulfonyl)carbamic acid [5-[[2-butyl-5-[[butylamino(oxo)methyl]amino]-1-benzimidazolyl]methyl]-2-phenylphenyl] ester IUPAC Name: [5-[[2-butyl-5-(butylcarbamoylamino)benzimidazol-1-yl]methyl]-2-phenylphenyl] N-(trifluoromethylsulfonyl)carbamate Traditional Name: N-triflylcarbamic acid [5-[[2-butyl-5-(butylcarbamoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] ester Formula: C31H34F3N5O5S MolecularWeight: 645.69237

Click to see the large picture

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=CC(=C2)NC(=O)NCCCC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)OC(=O)NS(=O)(=O)C(F)(F)F)C=CC(=C2)NC(=O)NCCCC

InChI

InChI=1S/C31H34F3N5O5S/c1-3-5-12-28-37-25-19-23(36-29(40)35-17-6-4-2)14-16-26(25)39(28)20-21-13-15-24(22-10-8-7-9-11-22)27(18-21)44-30(41)38-45(42,43)31(32,33)34/h7-11,13-16,18-19H,3-6,12,17,20H2,1-2H3,(H,38,41)(H2,35,36,40)