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

Systemtic Name: 3-[1-oxidanyl-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoate Openeye Name: 3-[[1-hydroxy-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-2-naphthyl]sulfanyl]propanoate CAS Name: 3-[[1-hydroxy-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-2-naphthalenyl]thio]propanoate IUPAC Name: 3-[1-hydroxy-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoate Traditional Name: 3-[[1-hydroxy-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-2-naphthyl]thio]propionate Formula: C23H24NO5S2- MolecularWeight: 458.57036

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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)SCCC(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCCC(=O)[O-])C)C

InChI

InChI=1S/C23H25NO5S2/c1-13-11-14(2)16(4)23(15(13)3)31(28,29)24-19-12-20(30-10-9-21(25)26)22(27)18-8-6-5-7-17(18)19/h5-8,11-12,24,27H,9-10H2,1-4H3,(H,25,26)/p-1