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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-6-(propylsulfonylmethylamino)benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-6-(propylsulfonylmethylamino)benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-6-(propylsulfonylmethylamino)-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-6-(propylsulfonylmethylamino)benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-6-(propylsulfonylmethylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C33H41N3O4S MolecularWeight: 575.76134

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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)CCC

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)CCC

InChI

InChI=1S/C33H41N3O4S/c1-6-8-13-31-35-29-19-18-26(34-23-41(38,39)20-7-2)21-30(29)36(31)22-24-14-16-25(17-15-24)27-11-9-10-12-28(27)32(37)40-33(3,4)5/h9-12,14-19,21,34H,6-8,13,20,22-23H2,1-5H3