3-[3,4-bis(oxidanyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-(3,4-dihydroxyphenyl)-2-(p-tolylsulfonylamino)propanoic acid CAS Name: 3-(3,4-dihydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(3,4-dihydroxyphenyl)-2-(tosylamino)propionic acid Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O

InChI

InChI=1S/C16H17NO6S/c1-10-2-5-12(6-3-10)24(22,23)17-13(16(20)21)8-11-4-7-14(18)15(19)9-11/h2-7,9,13,17-19H,8H2,1H3,(H,20,21)