methyl 3-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H26N2O5S/c1-3-28-19-7-9-20(10-8-19)29(25,26)23-13-11-22(12-14-23)16-17-5-4-6-18(15-17)21(24)27-2/h4-10,15H,3,11-14,16H2,1-2H3/p+1