3,4-dimethyl-5-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[(2-morpholino-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[(2-morpholino-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid Formula: C20H21N3O5S2 MolecularWeight: 447.52784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)C

InChI

InChI=1S/C20H21N3O5S2/c1-12-9-14(19(24)25)10-18(13(12)2)30(26,27)22-15-3-4-16-17(11-15)29-20(21-16)23-5-7-28-8-6-23/h3-4,9-11,22H,5-8H2,1-2H3,(H,24,25)