N-(1-cyanocyclohexyl)-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H27N4O3S2+ MolecularWeight: 411.56198

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2)C3(CCCCC3)C#N

InChI

InChI=1S/C18H26N4O3S2/c1-20(18(15-19)7-3-2-4-8-18)16(23)14-21-9-11-22(12-10-21)27(24,25)17-6-5-13-26-17/h5-6,13H,2-4,7-12,14H2,1H3/p+1