4-[[4-(chloromethylsulfonyl)-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(chloromethylsulfonyl)-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(chloromethylsulfonyl)-2-oxo-piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(chloromethylsulfonyl)-2-oxo-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(chloromethylsulfonyl)-2-oxopiperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(chloromethylsulfonyl)-2-keto-piperazino]methyl]benzonitrile Formula: C13H14ClN3O3S MolecularWeight: 327.78656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1S(=O)(=O)CCl)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)CCl)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H14ClN3O3S/c14-10-21(19,20)17-6-5-16(13(18)9-17)8-12-3-1-11(7-15)2-4-12/h1-4H,5-6,8-10H2