N-(2-cyanoethyl)-N-phenyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C19H23N4O3S2+ MolecularWeight: 419.54092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H22N4O3S2/c20-9-5-10-23(17-6-2-1-3-7-17)18(24)16-21-11-13-22(14-12-21)28(25,26)19-8-4-15-27-19/h1-4,6-8,15H,5,10-14,16H2/p+1