(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide

Systemtic Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide Openeye Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide CAS Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(1-methyl-3-pyrazolyl)butanamide IUPAC Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide Traditional Name: (2S)-3-methyl-N-(1-methylpyrazol-3-yl)-2-(piazthiol-4-ylsulfonylamino)butyramide Formula: C15H18N6O3S2 MolecularWeight: 394.47182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NN(C=C1)C)NS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NN(C=C1)C)NS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C15H18N6O3S2/c1-9(2)13(15(22)16-12-7-8-21(3)17-12)20-26(23,24)11-6-4-5-10-14(11)19-25-18-10/h4-9,13,20H,1-3H3,(H,16,17,22)/t13-/m0/s1