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

Systemtic Name: 4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[3-(2-chlorophenyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[3-(2-chlorophenyl)propanoyl]piperazino]sulfonylbenzonitrile Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20ClN3O3S/c21-19-4-2-1-3-17(19)7-10-20(25)23-11-13-24(14-12-23)28(26,27)18-8-5-16(15-22)6-9-18/h1-6,8-9H,7,10-14H2