2-[(3,4-dimethylphenyl)sulfonylamino]butanedioic acid

Systemtic Name: 2-[(3,4-dimethylphenyl)sulfonylamino]butanedioic acid Openeye Name: 2-[(3,4-dimethylphenyl)sulfonylamino]butanedioic acid CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]butanedioic acid IUPAC Name: 2-[(3,4-dimethylphenyl)sulfonylamino]butanedioic acid Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]succinic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6S/c1-7-3-4-9(5-8(7)2)20(18,19)13-10(12(16)17)6-11(14)15/h3-5,10,13H,6H2,1-2H3,(H,14,15)(H,16,17)