2-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C16H17ClN3O2S2+ MolecularWeight: 382.90808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(S3)Cl

InChI

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