4-[(4-methoxyphenoxy)sulfinyl-methyl-amino]-6-(2-phenylethynyl)quinoline-3-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenoxy)sulfinyl-methyl-amino]-6-(2-phenylethynyl)quinoline-3-carboxylic acid Openeye Name: 4-[(4-methoxyphenoxy)sulfinyl-methyl-amino]-6-(2-phenylethynyl)quinoline-3-carboxylic acid CAS Name: 4-[(4-methoxyphenoxy)sulfinyl-methylamino]-6-(2-phenylethynyl)-3-quinolinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenoxy)sulfinyl-methylamino]-6-(2-phenylethynyl)quinoline-3-carboxylic acid Traditional Name: 4-[(4-methoxyphenoxy)sulfinyl-methyl-amino]-6-(2-phenylethynyl)quinoline-3-carboxylic acid Formula: C26H20N2O5S MolecularWeight: 472.5124

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C2C=C(C=CC2=NC=C1C(=O)O)C#CC3=CC=CC=C3)S(=O)OC4=CC=C(C=C4)OC

Isomeric SMILES

CN(C1=C2C=C(C=CC2=NC=C1C(=O)O)C#CC3=CC=CC=C3)S(=O)OC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H20N2O5S/c1-28(34(31)33-21-13-11-20(32-2)12-14-21)25-22-16-19(9-8-18-6-4-3-5-7-18)10-15-24(22)27-17-23(25)26(29)30/h3-7,10-17H,1-2H3,(H,29,30)