2-[4-(4-phenylsulfanylbutanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(4-phenylsulfanylbutanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-phenylsulfanylbutanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-4-(phenylthio)butyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-phenylsulfanylbutanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(phenylthio)butanoyl]piperazino]sulfonylbenzonitrile Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N3O3S2/c22-17-18-7-4-5-10-20(18)29(26,27)24-14-12-23(13-15-24)21(25)11-6-16-28-19-8-2-1-3-9-19/h1-5,7-10H,6,11-16H2