[4-(4-ethanoylpiperazin-1-yl)phenyl] 3-fluoranyl-4-methyl-benzenesulfonate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 3-fluoranyl-4-methyl-benzenesulfonate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 3-fluoro-4-methyl-benzenesulfonate CAS Name: 3-fluoro-4-methylbenzenesulfonic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 3-fluoro-4-methylbenzenesulfonate Traditional Name: 3-fluoro-4-methyl-benzenesulfonic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN2O4S/c1-14-3-8-18(13-19(14)20)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