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

Systemtic Name: 2-[4-(3-phenylsulfanylpropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3-phenylsulfanylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-3-(phenylthio)propyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-phenylsulfanylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(phenylthio)propanoyl]piperazino]sulfonylbenzonitrile Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

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