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

Systemtic Name: 2-[4-[2-(2-hydroxyethylsulfanyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-hydroxyethylsulfanyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(2-hydroxyethylthio)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2-hydroxyethylsulfanyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-hydroxyethylthio)acetyl]piperazino]sulfonylbenzonitrile Formula: C15H19N3O4S2 MolecularWeight: 369.45906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCCO)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSCCO)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C15H19N3O4S2/c16-11-13-3-1-2-4-14(13)24(21,22)18-7-5-17(6-8-18)15(20)12-23-10-9-19/h1-4,19H,5-10,12H2