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

Systemtic Name: [5-[[2-butyl-5-(butylcarbamoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-(phenylsulfonyl)carbamate Openeye Name: [5-[[2-butyl-5-(butylcarbamoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] N-(benzenesulfonyl)carbamate CAS Name: N-(benzenesulfonyl)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-(benzenesulfonyl)carbamate Traditional Name: N-besylcarbamic acid [5-[[2-butyl-5-(butylcarbamoylamino)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] ester Formula: C36H39N5O5S MolecularWeight: 653.79036

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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)C5=CC=CC=C5)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)C5=CC=CC=C5)C=CC(=C2)NC(=O)NCCCC

InChI

InChI=1S/C36H39N5O5S/c1-3-5-17-34-39-31-24-28(38-35(42)37-22-6-4-2)19-21-32(31)41(34)25-26-18-20-30(27-13-9-7-10-14-27)33(23-26)46-36(43)40-47(44,45)29-15-11-8-12-16-29/h7-16,18-21,23-24H,3-6,17,22,25H2,1-2H3,(H,40,43)(H2,37,38,42)