methyl 5-[(1S)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(1S)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxylate Openeye Name: methyl 5-[(1S)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxylate CAS Name: 5-[(1S)-1-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(1S)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxylate Traditional Name: 5-[(1S)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]furan-2-carboxylic acid methyl ester Formula: C18H22FN2O5S+ MolecularWeight: 397.441083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C18H21FN2O5S/c1-13(16-6-7-17(26-16)18(22)25-2)20-8-10-21(11-9-20)27(23,24)15-5-3-4-14(19)12-15/h3-7,12-13H,8-11H2,1-2H3/p+1/t13-/m0/s1