[3-[2-butyl-6-[5-(phenylsulfonyl)pentylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-[2-butyl-6-[5-(phenylsulfonyl)pentylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[6-[5-(benzenesulfonyl)pentylamino]-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[6-[5-(benzenesulfonyl)pentylamino]-2-butyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[6-[5-(benzenesulfonyl)pentylamino]-2-butylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[6-(5-besylpentylamino)-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C36H39N3O5S MolecularWeight: 625.77696

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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=CC=C5

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=CC=C5

InChI

InChI=1S/C36H39N3O5S/c1-3-4-18-34-38-31-21-19-28(37-23-12-7-13-24-45(42,43)29-16-10-6-11-17-29)25-33(31)39(34)32-22-20-30(27-14-8-5-9-15-27)35(26(32)2)44-36(40)41/h5-6,8-11,14-17,19-22,25,37H,3-4,7,12-13,18,23-24H2,1-2H3,(H,40,41)