ethyl 4-[[1-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[1-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]sulfamoyl]benzoate Openeye Name: ethyl 4-[[1-[2-(cyclopropylamino)-2-oxo-ethyl]piperidin-1-ium-4-yl]sulfamoyl]benzoate CAS Name: 4-[[1-[2-(cyclopropylamino)-2-oxoethyl]-4-piperidin-1-iumyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-ium-4-yl]sulfamoyl]benzoate Traditional Name: 4-[[1-[2-(cyclopropylamino)-2-keto-ethyl]piperidin-1-ium-4-yl]sulfamoyl]benzoic acid ethyl ester Formula: C19H28N3O5S+ MolecularWeight: 410.50772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C19H27N3O5S/c1-2-27-19(24)14-3-7-17(8-4-14)28(25,26)21-16-9-11-22(12-10-16)13-18(23)20-15-5-6-15/h3-4,7-8,15-16,21H,2,5-6,9-13H2,1H3,(H,20,23)/p+1