3,4-dimethyl-5-[[(2-morpholin-4-yl-1,3-thiazol-4-yl)carbonylamino]sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[[(2-morpholin-4-yl-1,3-thiazol-4-yl)carbonylamino]sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[[(2-morpholinothiazole-4-carbonyl)amino]sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[[[2-(4-morpholinyl)-4-thiazolyl]-oxomethyl]amino]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[[(2-morpholinothiazole-4-carbonyl)amino]sulfamoyl]benzoic acid Formula: C17H20N4O6S2 MolecularWeight: 440.4939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NNC(=O)C2=CSC(=N2)N3CCOCC3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NNC(=O)C2=CSC(=N2)N3CCOCC3)C

InChI

InChI=1S/C17H20N4O6S2/c1-10-7-12(16(23)24)8-14(11(10)2)29(25,26)20-19-15(22)13-9-28-17(18-13)21-3-5-27-6-4-21/h7-9,20H,3-6H2,1-2H3,(H,19,22)(H,23,24)