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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]ethanamide Openeye Name: N-[(E)-(1-methylpyrrol-2-yl)methyleneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(E)-(1-methyl-2-pyrrolyl)methylideneamino]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide Traditional Name: N-[(E)-(1-methylpyrrol-2-yl)methyleneamino]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C19H26N5O3S+ MolecularWeight: 404.50644

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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=CN3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N/N=C/C3=CC=CN3C

InChI

InChI=1S/C19H25N5O3S/c1-16-5-7-18(8-6-16)28(26,27)24-12-10-23(11-13-24)15-19(25)21-20-14-17-4-3-9-22(17)2/h3-9,14H,10-13,15H2,1-2H3,(H,21,25)/p+1/b20-14+