methyl 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C20H25N2O5S+ MolecularWeight: 405.4879

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H24N2O5S/c1-26-18-7-9-19(10-8-18)28(24,25)22-13-11-21(12-14-22)15-16-3-5-17(6-4-16)20(23)27-2/h3-10H,11-15H2,1-2H3/p+1