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

Systemtic Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(3-chlorobenzyl)piperazino]sulfonylbenzonitrile Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H18ClN3O2S/c19-17-5-1-4-16(11-17)14-21-7-9-22(10-8-21)25(23,24)18-6-2-3-15(12-18)13-20/h1-6,11-12H,7-10,14H2