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

Systemtic Name: [2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: [2-(2-fluorophenyl)-2-oxo-ethyl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid [2-(2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-fluorophenyl)-2-oxoethyl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid [2-(2-fluorophenyl)-2-keto-ethyl] ester Formula: C26H25FN2O5S MolecularWeight: 496.550503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C26H25FN2O5S/c27-24-12-5-4-11-23(24)25(30)19-34-26(31)21-9-6-10-22(17-21)35(32,33)29-15-13-28(14-16-29)18-20-7-2-1-3-8-20/h1-12,17H,13-16,18-19H2