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

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C19H19ClN2O4S2 MolecularWeight: 438.94816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O4S2/c1-10-7-13(8-11(2)17(10)20)26-12(3)18(23)22-19-21-15-6-5-14(28(4,24)25)9-16(15)27-19/h5-9,12H,1-4H3,(H,21,22,23)