N-(3-cyanothiophen-2-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H23N4O3S2+ MolecularWeight: 419.54092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C19H22N4O3S2/c1-14-3-4-15(2)17(11-14)28(25,26)23-8-6-22(7-9-23)13-18(24)21-19-16(12-20)5-10-27-19/h3-5,10-11H,6-9,13H2,1-2H3,(H,21,24)/p+1