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

Systemtic Name: tert-butyl [3-[2-butyl-6-[5-(phenylsulfonyl)pentylamino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: [3-[6-[5-(benzenesulfonyl)pentylamino]-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid [3-[6-[5-(benzenesulfonyl)pentylamino]-2-butyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] tert-butyl ester IUPAC Name: [3-[6-[5-(benzenesulfonyl)pentylamino]-2-butylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [3-[6-(5-besylpentylamino)-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl ester Formula: C40H47N3O5S MolecularWeight: 681.88328

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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)OC(C)(C)C)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)OC(C)(C)C)C)C=C(C=C2)NCCCCCS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C40H47N3O5S/c1-6-7-21-37-42-34-24-22-31(41-26-15-10-16-27-49(45,46)32-19-13-9-14-20-32)28-36(34)43(37)35-25-23-33(30-17-11-8-12-18-30)38(29(35)2)47-39(44)48-40(3,4)5/h8-9,11-14,17-20,22-25,28,41H,6-7,10,15-16,21,26-27H2,1-5H3