methyl 5-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H23N2O5S+ MolecularWeight: 391.46132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O5S/c1-25-19(22)18-8-7-17(26-18)15-20-10-12-21(13-11-20)27(23,24)14-9-16-5-3-2-4-6-16/h2-9,14H,10-13,15H2,1H3/p+1/b14-9+