2-[[[(4-methylphenyl)sulfonylamino]-phenyl-methylidene]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[[(4-methylphenyl)sulfonylamino]-phenyl-methylidene]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[phenyl-(p-tolylsulfonylamino)methylene]amino]butanoic acid CAS Name: 2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[phenyl-(tosylamino)methylene]amino]butyric acid Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NC(CCSC)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NC(CCSC)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C19H22N2O4S2/c1-14-8-10-16(11-9-14)27(24,25)21-18(15-6-4-3-5-7-15)20-17(19(22)23)12-13-26-2/h3-11,17H,12-13H2,1-2H3,(H,20,21)(H,22,23)