[3-[2-butyl-6-[methylsulfonyl(phenethyl)amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-[2-butyl-6-[methylsulfonyl(phenethyl)amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[2-butyl-6-[methylsulfonyl(phenethyl)amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[2-butyl-6-[methylsulfonyl(phenethyl)amino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[2-butyl-6-[methylsulfonyl(phenethyl)amino]benzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[2-butyl-6-[mesyl(phenethyl)amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C34H35N3O5S MolecularWeight: 597.7238

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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)N(CCC5=CC=CC=C5)S(=O)(=O)C

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)N(CCC5=CC=CC=C5)S(=O)(=O)C

InChI

InChI=1S/C34H35N3O5S/c1-4-5-16-32-35-29-19-17-27(36(43(3,40)41)22-21-25-12-8-6-9-13-25)23-31(29)37(32)30-20-18-28(26-14-10-7-11-15-26)33(24(30)2)42-34(38)39/h6-15,17-20,23H,4-5,16,21-22H2,1-3H3,(H,38,39)