2-[1-oxidanyl-4-(quinolin-8-ylsulfonylamino)naphthalen-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-oxidanyl-4-(quinolin-8-ylsulfonylamino)naphthalen-2-yl]sulfanylethanoic acid Openeye Name: 2-[[1-hydroxy-4-(8-quinolylsulfonylamino)-2-naphthyl]sulfanyl]acetic acid CAS Name: 2-[[1-hydroxy-4-(8-quinolinylsulfonylamino)-2-naphthalenyl]thio]acetic acid IUPAC Name: 2-[1-hydroxy-4-(quinolin-8-ylsulfonylamino)naphthalen-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-hydroxy-4-(8-quinolylsulfonylamino)-2-naphthyl]thio]acetic acid Formula: C21H16N2O5S2 MolecularWeight: 440.49214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H16N2O5S2/c24-19(25)12-29-17-11-16(14-7-1-2-8-15(14)21(17)26)23-30(27,28)18-9-3-5-13-6-4-10-22-20(13)18/h1-11,23,26H,12H2,(H,24,25)