phenyl 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoate

Systemtic Name: phenyl 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoate Openeye Name: phenyl 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]benzoic acid phenyl ester IUPAC Name: phenyl 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoic acid phenyl ester Formula: C19H22ClN2O4S+ MolecularWeight: 409.90698

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H21ClN2O4S/c1-2-21-10-12-22(13-11-21)27(24,25)16-8-9-18(20)17(14-16)19(23)26-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3/p+1