4-[4-(6-chloranyl-2-methyl-quinolin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(6-chloranyl-2-methyl-quinolin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(6-chloro-2-methyl-quinoline-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(6-chloro-2-methyl-3-quinolinyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(6-chloro-2-methylquinoline-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(6-chloro-2-methyl-quinoline-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C22H19ClN4O3S MolecularWeight: 454.92926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H19ClN4O3S/c1-15-20(13-17-12-18(23)4-7-21(17)25-15)22(28)26-8-10-27(11-9-26)31(29,30)19-5-2-16(14-24)3-6-19/h2-7,12-13H,8-11H2,1H3