[4-(4-ethanoylpiperazin-1-yl)phenyl] 2-fluoranyl-5-methyl-benzenesulfonate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 2-fluoranyl-5-methyl-benzenesulfonate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 2-fluoro-5-methyl-benzenesulfonate CAS Name: 2-fluoro-5-methylbenzenesulfonic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 2-fluoro-5-methylbenzenesulfonate Traditional Name: 2-fluoro-5-methyl-benzenesulfonic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)S(=O)(=O)OC2=CC=C(C=C2)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)F)S(=O)(=O)OC2=CC=C(C=C2)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C19H21FN2O4S/c1-14-3-8-18(20)19(13-14)27(24,25)26-17-6-4-16(5-7-17)22-11-9-21(10-12-22)15(2)23/h3-8,13H,9-12H2,1-2H3