[5-[[2-butyl-6-(propanoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-methylsulfonylcarbamate

Systemtic Name: [5-[[2-butyl-6-(propanoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-methylsulfonylcarbamate Openeye Name: [5-[[2-butyl-6-(propanoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-methylsulfonylcarbamate CAS Name: N-methylsulfonylcarbamic acid [5-[[2-butyl-6-(1-oxopropylamino)-1-benzimidazolyl]methyl]-2-phenylphenyl] ester IUPAC Name: [5-[[2-butyl-6-(propanoylamino)benzimidazol-1-yl]methyl]-2-phenylphenyl] N-methylsulfonylcarbamate Traditional Name: N-mesylcarbamic acid [5-[(2-butyl-6-propionamido-benzimidazol-1-yl)methyl]-2-phenyl-phenyl] ester Formula: C29H32N4O5S MolecularWeight: 548.65318

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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)C=C(C=C2)NC(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O5S/c1-4-6-12-27-31-24-16-14-22(30-28(34)5-2)18-25(24)33(27)19-20-13-15-23(21-10-8-7-9-11-21)26(17-20)38-29(35)32-39(3,36)37/h7-11,13-18H,4-6,12,19H2,1-3H3,(H,30,34)(H,32,35)