3-[4-[[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)carbonylamino]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)carbonylamino]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[(4-methyl-2-morpholino-thiazole-5-carbonyl)amino]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[[[4-methyl-2-(4-morpholinyl)-5-thiazolyl]-oxomethyl]amino]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[(4-methyl-2-morpholino-thiazole-5-carbonyl)amino]sulfamoyl]phenyl]propionic acid Formula: C18H22N4O6S2 MolecularWeight: 454.52048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2CCOCC2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)N2CCOCC2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C18H22N4O6S2/c1-12-16(29-18(19-12)22-8-10-28-11-9-22)17(25)20-21-30(26,27)14-5-2-13(3-6-14)4-7-15(23)24/h2-3,5-6,21H,4,7-11H2,1H3,(H,20,25)(H,23,24)