3-[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(7-chloro-4-quinolyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(7-chloro-4-quinolinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(7-chloro-4-quinolyl)piperazino]sulfonylbenzonitrile Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H17ClN4O2S/c21-16-4-5-18-19(13-16)23-7-6-20(18)24-8-10-25(11-9-24)28(26,27)17-3-1-2-15(12-17)14-22/h1-7,12-13H,8-11H2