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

Systemtic Name: 2-[4-(2-quinolin-2-ylsulfanylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-quinolylsulfanyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-(2-quinolinylthio)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-quinolin-2-ylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-quinolylthio)acetyl]piperazino]sulfonylbenzonitrile Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H20N4O3S2/c23-15-18-6-2-4-8-20(18)31(28,29)26-13-11-25(12-14-26)22(27)16-30-21-10-9-17-5-1-3-7-19(17)24-21/h1-10H,11-14,16H2