3-(2,5-dimethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(2,5-dimethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(2,5-dimethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(2,5-dimethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(2,5-dimethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(2,5-dimethylphenoxy)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H20N2O4S2/c1-12-4-5-13(2)16(10-12)25-9-8-18(22)21-19-20-15-7-6-14(27(3,23)24)11-17(15)26-19/h4-7,10-11H,8-9H2,1-3H3,(H,20,21,22)