2-(4-methylsulfanylphenyl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-methylsulfanylphenyl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-methylsulfanylphenyl)-6-morpholinosulfonyl-quinoline-4-carboxylic acid CAS Name: 2-[4-(methylthio)phenyl]-6-(4-morpholinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methylsulfanylphenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-[4-(methylthio)phenyl]-6-morpholinosulfonyl-cinchoninic acid Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)C(=C2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)C(=C2)C(=O)O

InChI

InChI=1S/C21H20N2O5S2/c1-29-15-4-2-14(3-5-15)20-13-18(21(24)25)17-12-16(6-7-19(17)22-20)30(26,27)23-8-10-28-11-9-23/h2-7,12-13H,8-11H2,1H3,(H,24,25)