1-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(3-isoxazolylamino)-2-oxoethyl]-N-(4-sulfamoylphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(isoxazol-3-ylamino)-2-keto-ethyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide Formula: C17H22N5O5S+ MolecularWeight: 408.45208

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CC(=O)NC3=NOC=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CC(=O)NC3=NOC=C3

InChI

InChI=1S/C17H21N5O5S/c18-28(25,26)14-3-1-13(2-4-14)19-17(24)12-5-8-22(9-6-12)11-16(23)20-15-7-10-27-21-15/h1-4,7,10,12H,5-6,8-9,11H2,(H,19,24)(H2,18,25,26)(H,20,21,23)/p+1