2-[1-oxidanyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-oxidanyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylethanoate Openeye Name: 2-[[1-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]-2-naphthyl]sulfanyl]acetate CAS Name: 2-[[1-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]-2-naphthalenyl]thio]acetate IUPAC Name: 2-[1-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetate Traditional Name: 2-[[1-hydroxy-4-(mesitylsulfonylamino)-2-naphthyl]thio]acetate Formula: C21H20NO5S2- MolecularWeight: 430.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SCC(=O)[O-])C

InChI

InChI=1S/C21H21NO5S2/c1-12-8-13(2)21(14(3)9-12)29(26,27)22-17-10-18(28-11-19(23)24)20(25)16-7-5-4-6-15(16)17/h4-10,22,25H,11H2,1-3H3,(H,23,24)/p-1