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

Systemtic Name: 2-[1-oxidanyl-4-[(2,4,5-trimethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylethanoic acid Openeye Name: 2-[[1-hydroxy-4-[(2,4,5-trimethylphenyl)sulfonylamino]-2-naphthyl]sulfanyl]acetic acid CAS Name: 2-[[1-hydroxy-4-[(2,4,5-trimethylphenyl)sulfonylamino]-2-naphthalenyl]thio]acetic acid IUPAC Name: 2-[1-hydroxy-4-[(2,4,5-trimethylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-hydroxy-4-[(2,4,5-trimethylphenyl)sulfonylamino]-2-naphthyl]thio]acetic acid Formula: C21H21NO5S2 MolecularWeight: 431.52514

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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

Isomeric SMILES

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

InChI

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