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

Systemtic Name: 2-[[4-(4-phenylpiperazin-1-yl)carbonylphenyl]methylsulfonyl]ethanenitrile Openeye Name: 2-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methylsulfonyl]acetonitrile CAS Name: 2-[[4-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]methylsulfonyl]acetonitrile IUPAC Name: 2-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methylsulfonyl]acetonitrile Traditional Name: 2-[4-(4-phenylpiperazine-1-carbonyl)benzyl]sulfonylacetonitrile Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c21-10-15-27(25,26)16-17-6-8-18(9-7-17)20(24)23-13-11-22(12-14-23)19-4-2-1-3-5-19/h1-9H,11-16H2