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

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(3-chlorophenyl)piperazino]sulfonylbenzonitrile Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H16ClN3O2S/c18-15-4-2-5-16(12-15)20-7-9-21(10-8-20)24(22,23)17-6-1-3-14(11-17)13-19/h1-6,11-12H,7-10H2