(2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-[butyl(methyl)sulfamoyl]benzoate

Systemtic Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-[butyl(methyl)sulfamoyl]benzoate Openeye Name: (2-morpholino-1,3-benzothiazol-6-yl) 4-[butyl(methyl)sulfamoyl]benzoate CAS Name: 4-[butyl(methyl)sulfamoyl]benzoic acid [2-(4-morpholinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-[butyl(methyl)sulfamoyl]benzoate Traditional Name: 4-[butyl(methyl)sulfamoyl]benzoic acid (2-morpholino-1,3-benzothiazol-6-yl) ester Formula: C23H27N3O5S2 MolecularWeight: 489.60758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

InChI

InChI=1S/C23H27N3O5S2/c1-3-4-11-25(2)33(28,29)19-8-5-17(6-9-19)22(27)31-18-7-10-20-21(16-18)32-23(24-20)26-12-14-30-15-13-26/h5-10,16H,3-4,11-15H2,1-2H3