2-[1-oxidanyl-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoic acid

Systemtic Name: 2-[1-oxidanyl-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 2-[[1-hydroxy-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-2-naphthyl]sulfanyl]propanoic acid CAS Name: 2-[[1-hydroxy-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-2-naphthalenyl]thio]propanoic acid IUPAC Name: 2-[1-hydroxy-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[1-hydroxy-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-2-naphthyl]thio]propionic acid Formula: C23H25NO5S2 MolecularWeight: 459.5783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC(C)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC(C)C(=O)O)C)C

InChI

InChI=1S/C23H25NO5S2/c1-12-10-13(2)15(4)22(14(12)3)31(28,29)24-19-11-20(30-16(5)23(26)27)21(25)18-9-7-6-8-17(18)19/h6-11,16,24-25H,1-5H3,(H,26,27)