2-[[2-(2-methylphenyl)-4-(2-morpholin-4-ylethylsulfamoyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(2-morpholin-4-ylethylsulfamoyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-(2-morpholinoethylsulfamoyl)-2-(o-tolyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[2-(4-morpholinyl)ethylsulfamoyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-(2-morpholin-4-ylethylsulfamoyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[4-(2-morpholinoethylsulfamoyl)-2-(o-tolyl)benzoyl]amino]butyric acid Formula: C25H33N3O6S2 MolecularWeight: 535.67602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)S(=O)(=O)NCCN3CCOCC3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)S(=O)(=O)NCCN3CCOCC3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C25H33N3O6S2/c1-18-5-3-4-6-20(18)22-17-19(36(32,33)26-10-11-28-12-14-34-15-13-28)7-8-21(22)24(29)27-23(25(30)31)9-16-35-2/h3-8,17,23,26H,9-16H2,1-2H3,(H,27,29)(H,30,31)