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

Systemtic Name: 2-(4-bromanyl-2-ethyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-bromo-2-ethyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(4-bromo-2-ethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-bromo-2-ethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(4-bromo-2-ethyl-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:

CCC1=C(C=CC(=C1)Br)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

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