(2S)-4-methyl-2-[(2-oxidanylidene-3H-1,3-benzothiazol-5-yl)sulfonylamino]pentanamide

Systemtic Name: (2S)-4-methyl-2-[(2-oxidanylidene-3H-1,3-benzothiazol-5-yl)sulfonylamino]pentanamide Openeye Name: (2S)-4-methyl-2-[(2-oxo-3H-1,3-benzothiazol-5-yl)sulfonylamino]pentanamide CAS Name: (2S)-4-methyl-2-[(2-oxo-3H-1,3-benzothiazol-5-yl)sulfonylamino]pentanamide IUPAC Name: (2S)-4-methyl-2-[(2-oxo-3H-1,3-benzothiazol-5-yl)sulfonylamino]pentanamide Traditional Name: (2S)-2-[(2-keto-3H-1,3-benzothiazol-5-yl)sulfonylamino]-4-methyl-valeramide Formula: C13H17N3O4S2 MolecularWeight: 343.42178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NS(=O)(=O)C1=CC2=C(C=C1)SC(=O)N2

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)NS(=O)(=O)C1=CC2=C(C=C1)SC(=O)N2

InChI

InChI=1S/C13H17N3O4S2/c1-7(2)5-10(12(14)17)16-22(19,20)8-3-4-11-9(6-8)15-13(18)21-11/h3-4,6-7,10,16H,5H2,1-2H3,(H2,14,17)(H,15,18)/t10-/m0/s1