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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C11H12N2O3S2 MolecularWeight: 284.35458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O3S2/c1-3-10(14)13-11-12-8-5-4-7(18(2,15)16)6-9(8)17-11/h4-6H,3H2,1-2H3,(H,12,13,14)