N-[3-[4-(6-chloranyl-3-cyano-4-methyl-pyridin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-[4-(6-chloranyl-3-cyano-4-methyl-pyridin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-[4-(6-chloro-3-cyano-4-methyl-2-pyridyl)piperazin-1-yl]-3-oxo-propyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-[4-(6-chloro-3-cyano-4-methyl-2-pyridinyl)-1-piperazinyl]-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-[4-(6-chloro-3-cyano-4-methylpyridin-2-yl)piperazin-1-yl]-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-[4-(6-chloro-3-cyano-4-methyl-2-pyridyl)piperazino]-3-keto-propyl]piazthiole-4-sulfonamide Formula: C20H20ClN7O3S2 MolecularWeight: 506.0009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC4=NSN=C43)Cl

Isomeric SMILES

CC1=CC(=NC(=C1C#N)N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC4=NSN=C43)Cl

InChI

InChI=1S/C20H20ClN7O3S2/c1-13-11-17(21)24-20(14(13)12-22)28-9-7-27(8-10-28)18(29)5-6-23-33(30,31)16-4-2-3-15-19(16)26-32-25-15/h2-4,11,23H,5-10H2,1H3