4-(2-methylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(2-methylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(2-methylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(2-methylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(2-methylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butyramide Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H20N2O4S2/c1-13-6-3-4-7-16(13)25-11-5-8-18(22)21-19-20-15-10-9-14(27(2,23)24)12-17(15)26-19/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,20,21,22)