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

Systemtic Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-methoxy-5-sulfamoyl-benzoate Openeye Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-methoxy-5-sulfamoyl-benzoate CAS Name: 2-methoxy-5-sulfamoylbenzoic acid [2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate Traditional Name: 2-methoxy-5-sulfamoyl-benzoic acid [2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C20H22FN3O6S MolecularWeight: 451.468583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O6S/c1-29-18-7-6-16(31(22,27)28)12-17(18)20(26)30-13-19(25)24-10-8-23(9-11-24)15-4-2-14(21)3-5-15/h2-7,12H,8-11,13H2,1H3,(H2,22,27,28)