2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazino]sulfonylbenzonitrile Formula: C16H16ClN3O2S2 MolecularWeight: 381.90014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H16ClN3O2S2/c17-16-6-5-14(23-16)12-19-7-9-20(10-8-19)24(21,22)15-4-2-1-3-13(15)11-18/h1-6H,7-10,12H2