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

Systemtic Name: [5-[[2-butyl-6-(phenylcarbamoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-methylsulfonylcarbamate Openeye Name: [5-[[2-butyl-6-(phenylcarbamoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-methylsulfonylcarbamate CAS Name: N-methylsulfonylcarbamic acid [5-[[6-[[anilino(oxo)methyl]amino]-2-butyl-1-benzimidazolyl]methyl]-2-phenylphenyl] ester IUPAC Name: [5-[[2-butyl-6-(phenylcarbamoylamino)benzimidazol-1-yl]methyl]-2-phenylphenyl] N-methylsulfonylcarbamate Traditional Name: N-mesylcarbamic acid [5-[[2-butyl-6-(phenylcarbamoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] ester Formula: C33H33N5O5S MolecularWeight: 611.71062

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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)NC5=CC=CC=C5

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)NC5=CC=CC=C5

InChI

InChI=1S/C33H33N5O5S/c1-3-4-15-31-36-28-19-17-26(35-32(39)34-25-13-9-6-10-14-25)21-29(28)38(31)22-23-16-18-27(24-11-7-5-8-12-24)30(20-23)43-33(40)37-44(2,41)42/h5-14,16-21H,3-4,15,22H2,1-2H3,(H,37,40)(H2,34,35,39)