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

Systemtic Name: 4-(2-bromanyl-4-tert-butyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(2-bromo-4-tert-butylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(2-bromo-4-tert-butylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-(6-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C22H25BrN2O4S2 MolecularWeight: 525.4789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O4S2/c1-22(2,3)14-7-10-18(16(23)12-14)29-11-5-6-20(26)25-21-24-17-9-8-15(31(4,27)28)13-19(17)30-21/h7-10,12-13H,5-6,11H2,1-4H3,(H,24,25,26)