2-[4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3-chlorobenzothiophen-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3-chloro-1-benzothiophen-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(3-chlorobenzothiophen-2-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C20H18ClN3O2S2 MolecularWeight: 431.95882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C3=CC=CC=C3S2)Cl)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=C(C3=CC=CC=C3S2)Cl)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H18ClN3O2S2/c21-20-16-6-2-3-7-17(16)27-18(20)14-23-9-11-24(12-10-23)28(25,26)19-8-4-1-5-15(19)13-22/h1-8H,9-12,14H2