2-[4-[2-(phenylmethylsulfanyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(phenylmethylsulfanyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-benzylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-(phenylmethylthio)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-benzylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(benzylthio)acetyl]piperazino]sulfonylbenzonitrile Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H21N3O3S2/c21-14-18-8-4-5-9-19(18)28(25,26)23-12-10-22(11-13-23)20(24)16-27-15-17-6-2-1-3-7-17/h1-9H,10-13,15-16H2