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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]ethanamide Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]-N-[(E)-2-thienylmethyleneamino]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide Traditional Name: N-[(E)-2-thenylideneamino]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C18H23N4O3S2+ MolecularWeight: 407.53022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NN=CC3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S2/c1-15-4-6-17(7-5-15)27(24,25)22-10-8-21(9-11-22)14-18(23)20-19-13-16-3-2-12-26-16/h2-7,12-13H,8-11,14H2,1H3,(H,20,23)/p+1/b19-13+