3-[1-oxidanyl-4-(quinolin-8-ylsulfonylamino)naphthalen-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[1-oxidanyl-4-(quinolin-8-ylsulfonylamino)naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 3-[[1-hydroxy-4-(8-quinolylsulfonylamino)-2-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[1-hydroxy-4-(8-quinolinylsulfonylamino)-2-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[1-hydroxy-4-(quinolin-8-ylsulfonylamino)naphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[1-hydroxy-4-(8-quinolylsulfonylamino)-2-naphthyl]thio]propionic acid Formula: C22H18N2O5S2 MolecularWeight: 454.51872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O5S2/c25-20(26)10-12-30-18-13-17(15-7-1-2-8-16(15)22(18)27)24-31(28,29)19-9-3-5-14-6-4-11-23-21(14)19/h1-9,11,13,24,27H,10,12H2,(H,25,26)