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

Systemtic Name: 4-(6-chloranyl-3-piperidin-1-ylcarbonyl-quinolin-4-yl)sulfonylbenzenecarbonitrile Openeye Name: 4-[[6-chloro-3-(piperidine-1-carbonyl)-4-quinolyl]sulfonyl]benzonitrile CAS Name: 4-[[6-chloro-3-[oxo(1-piperidinyl)methyl]-4-quinolinyl]sulfonyl]benzonitrile IUPAC Name: 4-[6-chloro-3-(piperidine-1-carbonyl)quinolin-4-yl]sulfonylbenzonitrile Traditional Name: 4-[[6-chloro-3-(piperidine-1-carbonyl)-4-quinolyl]sulfonyl]benzonitrile Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CN=C3C=CC(=CC3=C2S(=O)(=O)C4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CN=C3C=CC(=CC3=C2S(=O)(=O)C4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C22H18ClN3O3S/c23-16-6-9-20-18(12-16)21(30(28,29)17-7-4-15(13-24)5-8-17)19(14-25-20)22(27)26-10-2-1-3-11-26/h4-9,12,14H,1-3,10-11H2