tert-butyl [3-[2-butyl-6-[butylsulfonyl-(phenylmethyl)amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[2-butyl-6-[butylsulfonyl-(phenylmethyl)amino]benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: [3-[6-[benzyl(butylsulfonyl)amino]-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-[butylsulfonyl-(phenylmethyl)amino]-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[6-[benzyl(butylsulfonyl)amino]-2-butylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [3-[6-[benzyl(butylsulfonyl)amino]-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)N(CC5=CC=CC=C5)S(=O)(=O)CCCC

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)N(CC5=CC=CC=C5)S(=O)(=O)CCCC

InChI

InChI=1S/C40H47N3O5S/c1-7-9-21-37-41-34-24-22-32(42(49(45,46)26-10-8-2)28-30-17-13-11-14-18-30)27-36(34)43(37)35-25-23-33(31-19-15-12-16-20-31)38(29(35)3)47-39(44)48-40(4,5)6/h11-20,22-25,27H,7-10,21,26,28H2,1-6H3