2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-1-thiophen-2-ylethylideneamino]ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-1-thiophen-2-ylethylideneamino]ethanamide Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]-N-[(E)-1-(2-thienyl)ethylideneamino]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide Traditional Name: N-[(E)-1-(2-thienyl)ethylideneamino]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C19H25N4O3S2+ MolecularWeight: 421.5568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NN=C(C)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N/N=C(\C)/C3=CC=CS3

InChI

InChI=1S/C19H24N4O3S2/c1-15-5-7-17(8-6-15)28(25,26)23-11-9-22(10-12-23)14-19(24)21-20-16(2)18-4-3-13-27-18/h3-8,13H,9-12,14H2,1-2H3,(H,21,24)/p+1/b20-16+