N-[2-(azepan-1-ylcarbonyl)-5-chloranyl-phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)-5-chloranyl-phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[2-(azepane-1-carbonyl)-5-chloro-phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]-5-chlorophenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[2-(azepane-1-carbonyl)-5-chlorophenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[2-(azepane-1-carbonyl)-5-chloro-phenyl]piazthiole-4-sulfonamide Formula: C19H19ClN4O3S2 MolecularWeight: 450.96216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H19ClN4O3S2/c20-13-8-9-14(19(25)24-10-3-1-2-4-11-24)16(12-13)23-29(26,27)17-7-5-6-15-18(17)22-28-21-15/h5-9,12,23H,1-4,10-11H2