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

Systemtic Name: 2-[[[(4-methylphenyl)sulfonylamino]-phenyl-methylidene]amino]butanedioic acid Openeye Name: 2-[[phenyl-(p-tolylsulfonylamino)methylene]amino]butanedioic acid CAS Name: 2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]butanedioic acid IUPAC Name: 2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]butanedioic acid Traditional Name: 2-[[phenyl-(tosylamino)methylene]amino]succinic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S/c1-12-7-9-14(10-8-12)27(25,26)20-17(13-5-3-2-4-6-13)19-15(18(23)24)11-16(21)22/h2-10,15H,11H2,1H3,(H,19,20)(H,21,22)(H,23,24)