[3-[2-butyl-6-[5-(4-methoxyphenyl)sulfonylpentylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-[2-butyl-6-[5-(4-methoxyphenyl)sulfonylpentylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[2-butyl-6-[5-(4-methoxyphenyl)sulfonylpentylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[2-butyl-6-[5-(4-methoxyphenyl)sulfonylpentylamino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[2-butyl-6-[5-(4-methoxyphenyl)sulfonylpentylamino]benzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[2-butyl-6-[5-(4-methoxyphenyl)sulfonylpentylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C37H41N3O6S MolecularWeight: 655.80294

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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)NCCCCCS(=O)(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C37H41N3O6S/c1-4-5-14-35-39-32-21-15-28(38-23-10-7-11-24-47(43,44)30-18-16-29(45-3)17-19-30)25-34(32)40(35)33-22-20-31(27-12-8-6-9-13-27)36(26(33)2)46-37(41)42/h6,8-9,12-13,15-22,25,38H,4-5,7,10-11,14,23-24H2,1-3H3,(H,41,42)