3-[[6-(2-methylpiperidin-1-yl)sulfonylquinolin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[6-(2-methylpiperidin-1-yl)sulfonylquinolin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[6-[(2-methyl-1-piperidyl)sulfonyl]-2-quinolyl]amino]benzonitrile CAS Name: 3-[[6-[(2-methyl-1-piperidinyl)sulfonyl]-2-quinolinyl]amino]benzonitrile IUPAC Name: 3-[[6-(2-methylpiperidin-1-yl)sulfonylquinolin-2-yl]amino]benzonitrile Traditional Name: 3-[[6-(2-methylpiperidino)sulfonyl-2-quinolyl]amino]benzonitrile Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H22N4O2S/c1-16-5-2-3-12-26(16)29(27,28)20-9-10-21-18(14-20)8-11-22(25-21)24-19-7-4-6-17(13-19)15-23/h4,6-11,13-14,16H,2-3,5,12H2,1H3,(H,24,25)