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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C12H14N2O3S2 MolecularWeight: 298.38116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C12H14N2O3S2/c1-3-4-11(15)14-12-13-9-6-5-8(19(2,16)17)7-10(9)18-12/h5-7H,3-4H2,1-2H3,(H,13,14,15)