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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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