2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(8-quinolylmethyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(8-quinolinylmethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(8-quinolylmethyl)piperazino]sulfonylbenzonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H20N4O2S/c22-15-18-5-1-2-9-20(18)28(26,27)25-13-11-24(12-14-25)16-19-7-3-6-17-8-4-10-23-21(17)19/h1-10H,11-14,16H2