2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl 4-chloranylbenzoate

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl 4-chloranylbenzoate Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]ethyl ester IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-(4-besylpiperazin-1-ium-1-yl)ethyl ester Formula: C19H22ClN2O4S+ MolecularWeight: 409.90698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCOC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21ClN2O4S/c20-17-8-6-16(7-9-17)19(23)26-15-14-21-10-12-22(13-11-21)27(24,25)18-4-2-1-3-5-18/h1-9H,10-15H2/p+1