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

Systemtic Name: 2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-(6-mesyl-1,3-benzothiazol-2-yl)acetamide Formula: C18H17BrN2O4S2 MolecularWeight: 469.37258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C)Br

InChI

InChI=1S/C18H17BrN2O4S2/c1-10-6-12(19)7-11(2)17(10)25-9-16(22)21-18-20-14-5-4-13(27(3,23)24)8-15(14)26-18/h4-8H,9H2,1-3H3,(H,20,21,22)