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

Systemtic Name: (2S)-N-(benzimidazol-1-yl)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanamide Openeye Name: (2S)-N-(benzimidazol-1-yl)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanamide CAS Name: (2S)-N-(1-benzimidazolyl)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanamide IUPAC Name: (2S)-N-(benzimidazol-1-yl)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanamide Traditional Name: (2S)-N-(benzimidazol-1-yl)-3-methyl-2-(piazthiol-4-ylsulfonylamino)butyramide Formula: C18H18N6O3S2 MolecularWeight: 430.50392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN1C=NC2=CC=CC=C21)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC(C)[C@@H](C(=O)NN1C=NC2=CC=CC=C21)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H18N6O3S2/c1-11(2)16(18(25)20-24-10-19-12-6-3-4-8-14(12)24)23-29(26,27)15-9-5-7-13-17(15)22-28-21-13/h3-11,16,23H,1-2H3,(H,20,25)/t16-/m0/s1