3-(6-chloranyl-3-pyrrolidin-1-ylcarbonyl-quinolin-4-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 3-(6-chloranyl-3-pyrrolidin-1-ylcarbonyl-quinolin-4-yl)sulfonylbenzenecarbonitrile Openeye Name: 3-[[6-chloro-3-(pyrrolidine-1-carbonyl)-4-quinolyl]sulfonyl]benzonitrile CAS Name: 3-[[6-chloro-3-[oxo(1-pyrrolidinyl)methyl]-4-quinolinyl]sulfonyl]benzonitrile IUPAC Name: 3-[6-chloro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]sulfonylbenzonitrile Traditional Name: 3-[[6-chloro-3-(pyrrolidine-1-carbonyl)-4-quinolyl]sulfonyl]benzonitrile Formula: C21H16ClN3O3S MolecularWeight: 425.88804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN=C3C=CC(=CC3=C2S(=O)(=O)C4=CC=CC(=C4)C#N)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN=C3C=CC(=CC3=C2S(=O)(=O)C4=CC=CC(=C4)C#N)Cl

InChI

InChI=1S/C21H16ClN3O3S/c22-15-6-7-19-17(11-15)20(18(13-24-19)21(26)25-8-1-2-9-25)29(27,28)16-5-3-4-14(10-16)12-23/h3-7,10-11,13H,1-2,8-9H2