2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]methylsulfonyl]ethanenitrile

Systemtic Name: 2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]methylsulfonyl]ethanenitrile Openeye Name: 2-[[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methylsulfonyl]acetonitrile CAS Name: 2-[[4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]methylsulfonyl]acetonitrile IUPAC Name: 2-[[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methylsulfonyl]acetonitrile Traditional Name: 2-[4-[4-(3-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=C2)Cl)C(=O)C3=CC=C(C=C3)CS(=O)(=O)CC#N

Isomeric SMILES

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

InChI

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