N-(2-oxidanylideneazepan-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-(2-oxidanylideneazepan-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-(2-oxoazepan-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-(2-oxo-3-azepanyl)-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-(2-oxoazepan-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-(2-ketoazepan-3-yl)piazthiole-4-sulfonamide Formula: C12H14N4O3S2 MolecularWeight: 326.39456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

C1CCNC(=O)C(C1)NS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C12H14N4O3S2/c17-12-9(4-1-2-7-13-12)16-21(18,19)10-6-3-5-8-11(10)15-20-14-8/h3,5-6,9,16H,1-2,4,7H2,(H,13,17)