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

Systemtic Name: 2-[1-oxidanyl-4-[(2,4,5-trimethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 2-[[1-hydroxy-4-[(2,4,5-trimethylphenyl)sulfonylamino]-2-naphthyl]sulfanyl]propanoic acid CAS Name: 2-[[1-hydroxy-4-[(2,4,5-trimethylphenyl)sulfonylamino]-2-naphthalenyl]thio]propanoic acid IUPAC Name: 2-[1-hydroxy-4-[(2,4,5-trimethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[1-hydroxy-4-[(2,4,5-trimethylphenyl)sulfonylamino]-2-naphthyl]thio]propionic acid Formula: C22H23NO5S2 MolecularWeight: 445.55172

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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

Isomeric SMILES

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

InChI

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