3-[3-(4-aminophenyl)sulfonyl-4,5-bis(oxidanyl)phenyl]-2-azanyl-propanoic acid

Systemtic Name: 3-[3-(4-aminophenyl)sulfonyl-4,5-bis(oxidanyl)phenyl]-2-azanyl-propanoic acid Openeye Name: 2-amino-3-[3-(4-aminophenyl)sulfonyl-4,5-dihydroxy-phenyl]propanoic acid CAS Name: 2-amino-3-[3-(4-aminophenyl)sulfonyl-4,5-dihydroxyphenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(4-aminophenyl)sulfonyl-4,5-dihydroxyphenyl]propanoic acid Traditional Name: 2-amino-3-(3,4-dihydroxy-5-sulfanilyl-phenyl)propionic acid Formula: C15H16N2O6S MolecularWeight: 352.36234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)S(=O)(=O)C2=CC(=CC(=C2O)O)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1N)S(=O)(=O)C2=CC(=CC(=C2O)O)CC(C(=O)O)N

InChI

InChI=1S/C15H16N2O6S/c16-9-1-3-10(4-2-9)24(22,23)13-7-8(5-11(17)15(20)21)6-12(18)14(13)19/h1-4,6-7,11,18-19H,5,16-17H2,(H,20,21)