[4-(4-ethanoylpiperazin-1-yl)phenyl] 2-chloranyl-5-(trifluoromethyl)benzenesulfonate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 2-chloranyl-5-(trifluoromethyl)benzenesulfonate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 2-chloro-5-(trifluoromethyl)benzenesulfonate CAS Name: 2-chloro-5-(trifluoromethyl)benzenesulfonic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 2-chloro-5-(trifluoromethyl)benzenesulfonate Traditional Name: 2-chloro-5-(trifluoromethyl)benzenesulfonic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C19H18ClF3N2O4S MolecularWeight: 462.87043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C19H18ClF3N2O4S/c1-13(26)24-8-10-25(11-9-24)15-3-5-16(6-4-15)29-30(27,28)18-12-14(19(21,22)23)2-7-17(18)20/h2-7,12H,8-11H2,1H3