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

Systemtic Name: 3-acetamido-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-acetamido-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-acetamido-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-acetamido-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-acetamido-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C13H15N3O4S2 MolecularWeight: 341.4059

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(=O)NCCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C13H15N3O4S2/c1-8(17)14-6-5-12(18)16-13-15-10-4-3-9(22(2,19)20)7-11(10)21-13/h3-4,7H,5-6H2,1-2H3,(H,14,17)(H,15,16,18)