4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)-N-(6-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C20H20BrClN2O4S2 MolecularWeight: 531.8708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H20BrClN2O4S2/c1-11-9-15(18(21)12(2)19(11)22)28-8-4-5-17(25)24-20-23-14-7-6-13(30(3,26)27)10-16(14)29-20/h6-7,9-10H,4-5,8H2,1-3H3,(H,23,24,25)