4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole

Systemtic Name: 4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole Openeye Name: 4-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole CAS Name: 4-[[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole Traditional Name: 4-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]sulfonyl]piazthiole Formula: C17H19N5O2S2 MolecularWeight: 389.49506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)CC4=CN=CC=C4

InChI

InChI=1S/C17H19N5O2S2/c23-26(24,16-6-1-5-15-17(16)20-25-19-15)22-9-3-8-21(10-11-22)13-14-4-2-7-18-12-14/h1-2,4-7,12H,3,8-11,13H2