[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl] 4-[(4-fluorophenyl)sulfonylamino]benzoate

Systemtic Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl] 4-[(4-fluorophenyl)sulfonylamino]benzoate Openeye Name: [(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl] 4-[(4-fluorophenyl)sulfonylamino]benzoate CAS Name: 4-[(4-fluorophenyl)sulfonylamino]benzoic acid [(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl] 4-[(4-fluorophenyl)sulfonylamino]benzoate Traditional Name: 4-[(4-fluorophenyl)sulfonylamino]benzoic acid [(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H27FN3O5S+ MolecularWeight: 464.530283

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O5S/c1-3-25-12-14-26(15-13-25)21(27)16(2)31-22(28)17-4-8-19(9-5-17)24-32(29,30)20-10-6-18(23)7-11-20/h4-11,16,24H,3,12-15H2,1-2H3/p+1/t16-/m0/s1