4-[4-[(2-chloranyl-7-methyl-quinolin-3-yl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-[(2-chloranyl-7-methyl-quinolin-3-yl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-[(2-chloro-7-methyl-3-quinolyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-[(2-chloro-7-methyl-3-quinolinyl)methyl]-1-piperazinyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-[(2-chloro-7-methyl-3-quinolyl)methyl]piperazino]sulfonylpiazthiole Formula: C21H20ClN5O2S2 MolecularWeight: 473.9988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54)Cl

InChI

InChI=1S/C21H20ClN5O2S2/c1-14-5-6-15-12-16(21(22)23-18(15)11-14)13-26-7-9-27(10-8-26)31(28,29)19-4-2-3-17-20(19)25-30-24-17/h2-6,11-12H,7-10,13H2,1H3