2-[3-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanedioic acid

Systemtic Name: 2-[3-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanedioic acid Openeye Name: 2-[3-(p-tolylsulfonylamino)phenyl]sulfanylpropanedioic acid CAS Name: 2-[[3-[(4-methylphenyl)sulfonylamino]phenyl]thio]propanedioic acid IUPAC Name: 2-[3-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanedioic acid Traditional Name: 2-[[3-(tosylamino)phenyl]thio]malonic acid Formula: C16H15NO6S2 MolecularWeight: 381.4234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)SC(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)SC(C(=O)O)C(=O)O

InChI

InChI=1S/C16H15NO6S2/c1-10-5-7-13(8-6-10)25(22,23)17-11-3-2-4-12(9-11)24-14(15(18)19)16(20)21/h2-9,14,17H,1H3,(H,18,19)(H,20,21)