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

Systemtic Name: methyl 3-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[4-(3-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(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

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