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

Systemtic Name: 2-[1-oxidanyl-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylethanoate Openeye Name: 2-[[1-hydroxy-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-2-naphthyl]sulfanyl]acetate CAS Name: 2-[[1-hydroxy-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-2-naphthalenyl]thio]acetate IUPAC Name: 2-[1-hydroxy-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetate Traditional Name: 2-[[1-hydroxy-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-2-naphthyl]thio]acetate Formula: C22H22NO5S2- MolecularWeight: 444.54378

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S2/c1-12-9-13(2)15(4)22(14(12)3)30(27,28)23-18-10-19(29-11-20(24)25)21(26)17-8-6-5-7-16(17)18/h5-10,23,26H,11H2,1-4H3,(H,24,25)/p-1