2-[[4-[4-(2-chlorophenyl)piperazin-1-yl]carbonylphenyl]methylsulfonyl]ethanenitrile

Systemtic Name: 2-[[4-[4-(2-chlorophenyl)piperazin-1-yl]carbonylphenyl]methylsulfonyl]ethanenitrile Openeye Name: 2-[[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methylsulfonyl]acetonitrile CAS Name: 2-[[4-[[4-(2-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]methylsulfonyl]acetonitrile IUPAC Name: 2-[[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methylsulfonyl]acetonitrile Traditional Name: 2-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]benzyl]sulfonylacetonitrile Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)CS(=O)(=O)CC#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)CS(=O)(=O)CC#N

InChI

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