[3-[2-butyl-6-[(4-methylphenyl)sulfonylmethylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-[2-butyl-6-[(4-methylphenyl)sulfonylmethylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[2-butyl-6-(p-tolylsulfonylmethylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[2-butyl-6-[(4-methylphenyl)sulfonylmethylamino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[2-butyl-6-[(4-methylphenyl)sulfonylmethylamino]benzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[2-butyl-6-(tosylmethylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C33H33N3O5S MolecularWeight: 583.69722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)NCS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)NCS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C33H33N3O5S/c1-4-5-11-31-35-28-18-14-25(34-21-42(39,40)26-15-12-22(2)13-16-26)20-30(28)36(31)29-19-17-27(24-9-7-6-8-10-24)32(23(29)3)41-33(37)38/h6-10,12-20,34H,4-5,11,21H2,1-3H3,(H,37,38)