2-(4-methyl-2-oxidanylidene-quinolin-1-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-(4-methyl-2-oxidanylidene-quinolin-1-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-(4-methyl-2-oxo-1-quinolyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-(4-methyl-2-oxo-1-quinolinyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(4-methyl-2-oxoquinolin-1-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-(2-keto-4-methyl-1-quinolyl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butyramide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N)N3C4=CC=CC=C4C(=CC3=O)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N)N3C4=CC=CC=C4C(=CC3=O)C

InChI

InChI=1S/C21H20N4O4S2/c1-3-16(25-17-7-5-4-6-14(17)12(2)10-19(25)26)20(27)24-21-23-15-9-8-13(31(22,28)29)11-18(15)30-21/h4-11,16H,3H2,1-2H3,(H2,22,28,29)(H,23,24,27)