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

Systemtic Name: 4-(4-ethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(4-ethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(4-ethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(4-ethylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(4-ethylphenoxy)-N-(6-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H22N2O4S2/c1-3-14-6-8-15(9-7-14)26-12-4-5-19(23)22-20-21-17-11-10-16(28(2,24)25)13-18(17)27-20/h6-11,13H,3-5,12H2,1-2H3,(H,21,22,23)