[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-fluoranyl-5-sulfamoyl-benzoate

Systemtic Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid [2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid [2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethyl] ester Formula: C20H21F2N3O5S MolecularWeight: 453.459646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)F

InChI

InChI=1S/C20H21F2N3O5S/c21-17-4-2-1-3-14(17)12-24-7-9-25(10-8-24)19(26)13-30-20(27)16-11-15(31(23,28)29)5-6-18(16)22/h1-6,11H,7-10,12-13H2,(H2,23,28,29)