2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-butanedioic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-butanedioic acid Openeye Name: 2-hydroxy-3-(p-tolylsulfonylamino)butanedioic acid CAS Name: 2-hydroxy-3-[(4-methylphenyl)sulfonylamino]butanedioic acid IUPAC Name: 2-hydroxy-3-[(4-methylphenyl)sulfonylamino]butanedioic acid Traditional Name: 2-hydroxy-3-(tosylamino)succinic acid Formula: C11H13NO7S MolecularWeight: 303.28842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO7S/c1-6-2-4-7(5-3-6)20(18,19)12-8(10(14)15)9(13)11(16)17/h2-5,8-9,12-13H,1H3,(H,14,15)(H,16,17)