2-[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[3-(methylthio)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(methylthio)propanoyl]piperazino]sulfonylbenzonitrile Formula: C15H19N3O3S2 MolecularWeight: 353.45966

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

CSCCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C15H19N3O3S2/c1-22-11-6-15(19)17-7-9-18(10-8-17)23(20,21)14-5-3-2-4-13(14)12-16/h2-5H,6-11H2,1H3