tert-butyl 2-[4-[[2-butyl-6-[(2-butylsulfonylphenyl)methylamino]benzimidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[2-butyl-6-[(2-butylsulfonylphenyl)methylamino]benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-6-[(2-butylsulfonylphenyl)methylamino]benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-6-[(2-butylsulfonylphenyl)methylamino]-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-6-[(2-butylsulfonylphenyl)methylamino]benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-6-[(2-butylsulfonylbenzyl)amino]benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C40H47N3O4S MolecularWeight: 665.88388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)NCC5=CC=CC=C5S(=O)(=O)CCCC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)NCC5=CC=CC=C5S(=O)(=O)CCCC

InChI

InChI=1S/C40H47N3O4S/c1-6-8-18-38-42-35-24-23-32(41-27-31-14-10-13-17-37(31)48(45,46)25-9-7-2)26-36(35)43(38)28-29-19-21-30(22-20-29)33-15-11-12-16-34(33)39(44)47-40(3,4)5/h10-17,19-24,26,41H,6-9,18,25,27-28H2,1-5H3