4-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole

Systemtic Name: 4-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole Openeye Name: 4-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole CAS Name: 4-[[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole Traditional Name: 4-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]piazthiole Formula: C16H20N6O2S2 MolecularWeight: 392.499

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C16H20N6O2S2/c1-20-9-6-17-15(20)12-21-7-3-8-22(11-10-21)26(23,24)14-5-2-4-13-16(14)19-25-18-13/h2,4-6,9H,3,7-8,10-12H2,1H3