[2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(2-fluorophenyl)-2-oxo-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-(2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-fluorophenyl)-2-oxoethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid [2-(2-fluorophenyl)-2-keto-ethyl] ester Formula: C25H23FN2O5S MolecularWeight: 482.523923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C25H23FN2O5S/c26-23-12-5-4-11-22(23)24(29)18-33-25(30)19-7-6-10-21(17-19)34(31,32)28-15-13-27(14-16-28)20-8-2-1-3-9-20/h1-12,17H,13-16,18H2