ethyl 4-[[3-(2,6-dimethylpiperidin-1-ium-1-yl)propanoylamino]sulfamoyl]benzoate chloride

Systemtic Name: ethyl 4-[[3-(2,6-dimethylpiperidin-1-ium-1-yl)propanoylamino]sulfamoyl]benzoate chloride Openeye Name: ethyl 4-[[3-(2,6-dimethylpiperidin-1-ium-1-yl)propanoylamino]sulfamoyl]benzoate chloride CAS Name: 4-[[[3-(2,6-dimethyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]sulfamoyl]benzoic acid ethyl ester chloride IUPAC Name: ethyl 4-[[3-(2,6-dimethylpiperidin-1-ium-1-yl)propanoylamino]sulfamoyl]benzoate chloride Traditional Name: 4-[[3-(2,6-dimethylpiperidin-1-ium-1-yl)propanoylamino]sulfamoyl]benzoic acid ethyl ester chloride Formula: C19H30ClN3O5S MolecularWeight: 447.9766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)CC[NH+]2C(CCCC2C)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)CC[NH+]2C(CCCC2C)C.[Cl-]

InChI

InChI=1S/C19H29N3O5S.ClH/c1-4-27-19(24)16-8-10-17(11-9-16)28(25,26)21-20-18(23)12-13-22-14(2)6-5-7-15(22)3;/h8-11,14-15,21H,4-7,12-13H2,1-3H3,(H,20,23);1H