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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-6-[(phenylmethyl)sulfonylmethylamino]benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[6-(benzylsulfonylmethylamino)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-6-[(phenylmethyl)sulfonylmethylamino]-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[6-(benzylsulfonylmethylamino)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-(benzylsulfonylmethylamino)-2-butyl-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)CC5=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)CC5=CC=CC=C5

InChI

InChI=1S/C37H41N3O4S/c1-5-6-16-35-39-33-22-21-30(38-26-45(42,43)25-28-12-8-7-9-13-28)23-34(33)40(35)24-27-17-19-29(20-18-27)31-14-10-11-15-32(31)36(41)44-37(2,3)4/h7-15,17-23,38H,5-6,16,24-26H2,1-4H3