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

Systemtic Name: methyl 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C19H22ClN2O4S+ MolecularWeight: 409.90698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O4S/c1-26-19(23)16-4-2-15(3-5-16)14-21-10-12-22(13-11-21)27(24,25)18-8-6-17(20)7-9-18/h2-9H,10-14H2,1H3/p+1