2-[4-(2-propan-2-ylquinolin-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-propan-2-ylquinolin-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-isopropylquinoline-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-(2-propan-2-yl-4-quinolinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-isopropylquinoline-4-carbonyl)piperazino]sulfonylbenzonitrile Formula: C24H24N4O3S MolecularWeight: 448.53736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H24N4O3S/c1-17(2)22-15-20(19-8-4-5-9-21(19)26-22)24(29)27-11-13-28(14-12-27)32(30,31)23-10-6-3-7-18(23)16-25/h3-10,15,17H,11-14H2,1-2H3