4-(2-thiophen-2-ylazepan-1-yl)sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-(2-thiophen-2-ylazepan-1-yl)sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[2-(2-thienyl)azepan-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[(2-thiophen-2-yl-1-azepanyl)sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-(2-thiophen-2-ylazepan-1-yl)sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[2-(2-thienyl)azepan-1-yl]sulfonylpiazthiole Formula: C16H17N3O2S3 MolecularWeight: 379.52008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32)C4=CC=CS4

Isomeric SMILES

C1CCC(N(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32)C4=CC=CS4

InChI

InChI=1S/C16H17N3O2S3/c20-24(21,15-9-4-6-12-16(15)18-23-17-12)19-10-3-1-2-7-13(19)14-8-5-11-22-14/h4-6,8-9,11,13H,1-3,7,10H2