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

Systemtic Name: 1-[4-(2-sulfamoylphenyl)phenyl]pentan-3-yl 2-(2-ethyl-4-methylsulfanyl-1H-imidazol-5-yl)prop-2-enoate Openeye Name: [1-ethyl-3-[4-(2-sulfamoylphenyl)phenyl]propyl] 2-(2-ethyl-4-methylsulfanyl-1H-imidazol-5-yl)prop-2-enoate CAS Name: 2-[2-ethyl-4-(methylthio)-1H-imidazol-5-yl]-2-propenoic 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)prop-2-enoate Traditional Name: 2-[2-ethyl-4-(methylthio)-1H-imidazol-5-yl]acrylic acid [1-ethyl-3-[4-(2-sulfamoylphenyl)phenyl]propyl] ester Formula: C26H31N3O4S2 MolecularWeight: 513.67204

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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)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)SC

InChI

InChI=1S/C26H31N3O4S2/c1-5-20(33-26(30)17(3)24-25(34-4)29-23(6-2)28-24)16-13-18-11-14-19(15-12-18)21-9-7-8-10-22(21)35(27,31)32/h7-12,14-15,20H,3,5-6,13,16H2,1-2,4H3,(H,28,29)(H2,27,31,32)