4-[[4-[3-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-oxo-piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[3-(1-imidazolylmethyl)phenyl]sulfonyl-2-oxo-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-oxopiperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(imidazol-1-ylmethyl)phenyl]sulfonyl-2-keto-piperazino]methyl]benzonitrile Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1S(=O)(=O)C2=CC=CC(=C2)CN3C=CN=C3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC=CC(=C2)CN3C=CN=C3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21N5O3S/c23-13-18-4-6-19(7-5-18)15-26-10-11-27(16-22(26)28)31(29,30)21-3-1-2-20(12-21)14-25-9-8-24-17-25/h1-9,12,17H,10-11,14-16H2