2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl 2-chloranylbenzoate

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl 2-chloranylbenzoate Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]ethyl 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl ester IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid 2-(4-tosylpiperazin-1-ium-1-yl)ethyl ester Formula: C20H24ClN2O4S+ MolecularWeight: 423.93356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN2O4S/c1-16-6-8-17(9-7-16)28(25,26)23-12-10-22(11-13-23)14-15-27-20(24)18-4-2-3-5-19(18)21/h2-9H,10-15H2,1H3/p+1