[5-[(2-butyl-6-ethylsulfonyl-benzimidazol-1-yl)methyl]-2-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [5-[(2-butyl-6-ethylsulfonyl-benzimidazol-1-yl)methyl]-2-phenyl-phenyl] hydrogen carbonate Openeye Name: [5-[(2-butyl-6-ethylsulfonyl-benzimidazol-1-yl)methyl]-2-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [5-[(2-butyl-6-ethylsulfonyl-1-benzimidazolyl)methyl]-2-phenylphenyl] ester IUPAC Name: [5-[(2-butyl-6-ethylsulfonylbenzimidazol-1-yl)methyl]-2-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [5-[(2-butyl-6-esyl-benzimidazol-1-yl)methyl]-2-phenyl-phenyl] ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O5S/c1-3-5-11-26-28-23-15-13-21(35(32,33)4-2)17-24(23)29(26)18-19-12-14-22(20-9-7-6-8-10-20)25(16-19)34-27(30)31/h6-10,12-17H,3-5,11,18H2,1-2H3,(H,30,31)