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

Systemtic Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-[bis(2-methylpropyl)sulfamoyl]benzoate Openeye Name: (2-morpholino-1,3-benzothiazol-6-yl) 4-(diisobutylsulfamoyl)benzoate CAS Name: 4-[bis(2-methylpropyl)sulfamoyl]benzoic acid [2-(4-morpholinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-[bis(2-methylpropyl)sulfamoyl]benzoate Traditional Name: 4-(diisobutylsulfamoyl)benzoic acid (2-morpholino-1,3-benzothiazol-6-yl) ester Formula: C26H33N3O5S2 MolecularWeight: 531.68732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O5S2/c1-18(2)16-29(17-19(3)4)36(31,32)22-8-5-20(6-9-22)25(30)34-21-7-10-23-24(15-21)35-26(27-23)28-11-13-33-14-12-28/h5-10,15,18-19H,11-14,16-17H2,1-4H3