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

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-N-(6-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C20H21ClN2O4S2 MolecularWeight: 452.97474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4S2/c1-12-9-14(10-13(2)19(12)21)27-8-4-5-18(24)23-20-22-16-7-6-15(29(3,25)26)11-17(16)28-20/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,23,24)