ethyl 4-[[(2S)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[(2S)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]sulfamoyl]benzoate Openeye Name: ethyl 4-[[(2S)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]sulfamoyl]benzoate CAS Name: 4-[[(2S)-3-ethyl-2-(4-morpholin-4-iumyl)pentyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-3-ethyl-2-morpholin-4-ium-4-ylpentyl]sulfamoyl]benzoate Traditional Name: 4-[[(2S)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]sulfamoyl]benzoic acid ethyl ester Formula: C20H33N2O5S+ MolecularWeight: 413.55142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC)[NH+]2CCOCC2

Isomeric SMILES

CCC(CC)[C@@H](CNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC)[NH+]2CCOCC2

InChI

InChI=1S/C20H32N2O5S/c1-4-16(5-2)19(22-11-13-26-14-12-22)15-21-28(24,25)18-9-7-17(8-10-18)20(23)27-6-3/h7-10,16,19,21H,4-6,11-15H2,1-3H3/p+1/t19-/m1/s1