4-chloranyl-3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoate

Systemtic Name: 4-chloranyl-3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoate Openeye Name: 4-chloro-3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoate CAS Name: 4-chloro-3-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]benzoate IUPAC Name: 4-chloro-3-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoate Formula: C13H17ClN2O4S MolecularWeight: 332.80308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O4S/c1-2-15-5-7-16(8-6-15)21(19,20)12-9-10(13(17)18)3-4-11(12)14/h3-4,9H,2,5-8H2,1H3,(H,17,18)