(2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-(4-methylphenyl)ethanoate

Systemtic Name: (2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-(4-methylphenyl)ethanoate Openeye Name: (2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-(p-tolyl)acetate CAS Name: (2S)-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-2-(4-methylphenyl)acetate IUPAC Name: (2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-(4-methylphenyl)acetate Traditional Name: (2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-(p-tolyl)acetate Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)[O-])[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=O)[O-])[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN2O4S/c1-14-2-4-15(5-3-14)18(19(23)24)21-10-12-22(13-11-21)27(25,26)17-8-6-16(20)7-9-17/h2-9,18H,10-13H2,1H3,(H,23,24)/t18-/m0/s1