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

Systemtic Name: [3-[2-butyl-6-[3-(4-methylphenyl)sulfonylpropylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[2-butyl-6-[3-(p-tolylsulfonyl)propylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[2-butyl-6-[3-(4-methylphenyl)sulfonylpropylamino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[2-butyl-6-[3-(4-methylphenyl)sulfonylpropylamino]benzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[2-butyl-6-(3-tosylpropylamino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C35H37N3O5S MolecularWeight: 611.75038

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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)NCCCS(=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)NCCCS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C35H37N3O5S/c1-4-5-12-33-37-30-19-15-27(36-21-9-22-44(41,42)28-16-13-24(2)14-17-28)23-32(30)38(33)31-20-18-29(26-10-7-6-8-11-26)34(25(31)3)43-35(39)40/h6-8,10-11,13-20,23,36H,4-5,9,12,21-22H2,1-3H3,(H,39,40)