2-[4-(2-chloranylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-chloranylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-chloroacetyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(2-chloro-1-oxoethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-chloroacetyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-chloroacetyl)piperazino]sulfonylbenzonitrile Formula: C13H14ClN3O3S MolecularWeight: 327.78656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCl)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCl)S(=O)(=O)C2=CC=CC=C2C#N

InChI

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