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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-6-[(4-methylphenyl)sulfonylmethylamino]benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-6-(p-tolylsulfonylmethylamino)benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-6-[(4-methylphenyl)sulfonylmethylamino]-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-6-[(4-methylphenyl)sulfonylmethylamino]benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-6-(tosylmethylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C37H41N3O4S MolecularWeight: 623.80414

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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)NCS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)NCS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C37H41N3O4S/c1-6-7-12-35-39-33-22-19-29(38-25-45(42,43)30-20-13-26(2)14-21-30)23-34(33)40(35)24-27-15-17-28(18-16-27)31-10-8-9-11-32(31)36(41)44-37(3,4)5/h8-11,13-23,38H,6-7,12,24-25H2,1-5H3