4-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H20N2O4S2/c1-3-4-11-25-14-7-5-13(6-8-14)18(22)21-19-20-16-10-9-15(27(2,23)24)12-17(16)26-19/h5-10,12H,3-4,11H2,1-2H3,(H,20,21,22)