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

Systemtic Name: [3-[2-butyl-6-[(4-chlorophenyl)sulfonylmethylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[2-butyl-6-[(4-chlorophenyl)sulfonylmethylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[2-butyl-6-[(4-chlorophenyl)sulfonylmethylamino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[2-butyl-6-[(4-chlorophenyl)sulfonylmethylamino]benzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[2-butyl-6-[(4-chlorophenyl)sulfonylmethylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C32H30ClN3O5S MolecularWeight: 604.1157

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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)Cl

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)Cl

InChI

InChI=1S/C32H30ClN3O5S/c1-3-4-10-30-35-27-17-13-24(34-20-42(39,40)25-14-11-23(33)12-15-25)19-29(27)36(30)28-18-16-26(22-8-6-5-7-9-22)31(21(28)2)41-32(37)38/h5-9,11-19,34H,3-4,10,20H2,1-2H3,(H,37,38)