4-[4-[2-(4-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[2-(4-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(4-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2-(4-chlorophenyl)sulfanylpropanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-[(4-chlorophenyl)thio]propanoyl]piperazino]sulfonylbenzonitrile Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O3S2/c1-15(28-18-6-4-17(21)5-7-18)20(25)23-10-12-24(13-11-23)29(26,27)19-8-2-16(14-22)3-9-19/h2-9,15H,10-13H2,1H3