1-[4-(2-sulfamoylphenyl)phenyl]pentan-3-yl 2-(2-ethyl-4-methylsulfanyl-1H-imidazol-5-yl)-2-oxidanyl-propanoate

Systemtic Name: 1-[4-(2-sulfamoylphenyl)phenyl]pentan-3-yl 2-(2-ethyl-4-methylsulfanyl-1H-imidazol-5-yl)-2-oxidanyl-propanoate Openeye Name: [1-ethyl-3-[4-(2-sulfamoylphenyl)phenyl]propyl] 2-(2-ethyl-4-methylsulfanyl-1H-imidazol-5-yl)-2-hydroxy-propanoate CAS Name: 2-[2-ethyl-4-(methylthio)-1H-imidazol-5-yl]-2-hydroxypropanoic acid 1-[4-(2-sulfamoylphenyl)phenyl]pentan-3-yl ester IUPAC Name: 1-[4-(2-sulfamoylphenyl)phenyl]pentan-3-yl 2-(2-ethyl-4-methylsulfanyl-1H-imidazol-5-yl)-2-hydroxypropanoate Traditional Name: 2-[2-ethyl-4-(methylthio)-1H-imidazol-5-yl]-2-hydroxy-propionic acid [1-ethyl-3-[4-(2-sulfamoylphenyl)phenyl]propyl] ester Formula: C26H33N3O5S2 MolecularWeight: 531.68732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C(C)(C(=O)OC(CC)CCC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)O)SC

Isomeric SMILES

CCC1=NC(=C(N1)C(C)(C(=O)OC(CC)CCC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)O)SC

InChI

InChI=1S/C26H33N3O5S2/c1-5-19(34-25(30)26(3,31)23-24(35-4)29-22(6-2)28-23)16-13-17-11-14-18(15-12-17)20-9-7-8-10-21(20)36(27,32)33/h7-12,14-15,19,31H,5-6,13,16H2,1-4H3,(H,28,29)(H2,27,32,33)