methyl 4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-27-21(24)20-9-7-19(8-10-20)17-22-12-14-23(15-13-22)28(25,26)16-11-18-5-3-2-4-6-18/h2-11,16H,12-15,17H2,1H3/p+1/b16-11+