2-[(4-bromophenyl)sulfonylamino]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 2-[(4-bromophenyl)sulfonylamino]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-[(4-bromophenyl)sulfonylamino]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-[(4-bromophenyl)sulfonylamino]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 2-[(4-bromophenyl)sulfonylamino]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-(brosylamino)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H18BrN3O3S2 MolecularWeight: 516.43062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C22H18BrN3O3S2/c1-13-11-14(2)20-19(12-13)30-22(24-20)25-21(27)17-5-3-4-6-18(17)26-31(28,29)16-9-7-15(23)8-10-16/h3-12,26H,1-2H3,(H,24,25,27)