methyl N-[2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate

Systemtic Name: methyl N-[2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: methyl N-[2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate CAS Name: N-[2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate Traditional Name: N-[2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamic acid methyl ester Formula: C14H18ClFN3O5S+ MolecularWeight: 394.826223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClFN3O5S/c1-24-14(21)17-13(20)9-18-4-6-19(7-5-18)25(22,23)10-2-3-12(16)11(15)8-10/h2-3,8H,4-7,9H2,1H3,(H,17,20,21)/p+1