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

Systemtic Name: N-[(E)-furan-2-ylmethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(E)-2-furylmethyleneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(E)-2-furanylmethylideneamino]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(E)-furan-2-ylmethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(E)-2-furfurylideneamino]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C18H23N4O4S+ MolecularWeight: 391.46462

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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=CO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N/N=C/C3=CC=CO3

InChI

InChI=1S/C18H22N4O4S/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+