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

Systemtic Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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