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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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