N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-mesylpiperazin-1-ium-1-yl)acetamide Formula: C16H23N4O3S2+ MolecularWeight: 383.50882

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C16H22N4O3S2/c1-25(22,23)20-8-6-19(7-9-20)11-15(21)18-16-13(10-17)12-4-2-3-5-14(12)24-16/h2-9,11H2,1H3,(H,18,21)/p+1