2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]ethanamide Openeye Name: N-[(E)-(3-methyl-2-thienyl)methyleneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(E)-(3-methyl-2-thiophenyl)methylideneamino]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide Traditional Name: N-[(E)-(3-methyl-2-thienyl)methyleneamino]-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=CC3=C(C=CS3)C

Isomeric SMILES

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

InChI

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