2-(4-bromanyl-2-tert-butyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-2-tert-butyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-bromo-2-tert-butyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(4-bromo-2-tert-butylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-bromo-2-tert-butylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(4-bromo-2-tert-butyl-phenoxy)-N-(6-mesyl-1,3-benzothiazol-2-yl)acetamide Formula: C20H21BrN2O4S2 MolecularWeight: 497.42574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H21BrN2O4S2/c1-20(2,3)14-9-12(21)5-8-16(14)27-11-18(24)23-19-22-15-7-6-13(29(4,25)26)10-17(15)28-19/h5-10H,11H2,1-4H3,(H,22,23,24)