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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-6-(phenylsulfonylmethylamino)benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[6-(benzenesulfonylmethylamino)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[6-(benzenesulfonylmethylamino)-2-butyl-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[6-(benzenesulfonylmethylamino)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-(besylmethylamino)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C36H39N3O4S MolecularWeight: 609.77756

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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=CC=C5

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=CC=C5

InChI

InChI=1S/C36H39N3O4S/c1-5-6-16-34-38-32-22-21-28(37-25-44(41,42)29-12-8-7-9-13-29)23-33(32)39(34)24-26-17-19-27(20-18-26)30-14-10-11-15-31(30)35(40)43-36(2,3)4/h7-15,17-23,37H,5-6,16,24-25H2,1-4H3