2-butyl-1-[[4-phenyl-3-(phenylsulfonylcarbamoyloxy)phenyl]methyl]-6-[propan-2-yl(sulfino)amino]benzimidazole

Systemtic Name: 2-butyl-1-[[4-phenyl-3-(phenylsulfonylcarbamoyloxy)phenyl]methyl]-6-[propan-2-yl(sulfino)amino]benzimidazole Openeye Name: 1-[[3-(benzenesulfonylcarbamoyloxy)-4-phenyl-phenyl]methyl]-2-butyl-6-[isopropyl(sulfino)amino]benzimidazole CAS Name: 1-[[3-[benzenesulfonamido(oxo)methoxy]-4-phenylphenyl]methyl]-2-butyl-6-[propan-2-yl(sulfino)amino]benzimidazole IUPAC Name: 1-[[3-(benzenesulfonylcarbamoyloxy)-4-phenylphenyl]methyl]-2-butyl-6-[propan-2-yl(sulfino)amino]benzimidazole Traditional Name: 1-[3-(besylcarbamoyloxy)-4-phenyl-benzyl]-2-butyl-6-[isopropyl(sulfino)amino]benzimidazole Formula: C34H36N4O6S2 MolecularWeight: 660.80284

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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=C(C=C2)N(C(C)C)S(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)OC(=O)NS(=O)(=O)C5=CC=CC=C5)C=C(C=C2)N(C(C)C)S(=O)O

InChI

InChI=1S/C34H36N4O6S2/c1-4-5-16-33-35-30-20-18-27(38(24(2)3)45(40)41)22-31(30)37(33)23-25-17-19-29(26-12-8-6-9-13-26)32(21-25)44-34(39)36-46(42,43)28-14-10-7-11-15-28/h6-15,17-22,24H,4-5,16,23H2,1-3H3,(H,36,39)(H,40,41)