1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-phenylisoxazol-5-yl)methyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-phenyl-5-isoxazolyl)methyl]-N-(4-sulfamoylphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3-phenylisoxazol-5-yl)methyl]-N-(4-sulfamoylphenyl)piperidin-1-ium-4-carboxamide Formula: C22H25N4O4S+ MolecularWeight: 441.5233

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O4S/c23-31(28,29)20-8-6-18(7-9-20)24-22(27)17-10-12-26(13-11-17)15-19-14-21(25-30-19)16-4-2-1-3-5-16/h1-9,14,17H,10-13,15H2,(H,24,27)(H2,23,28,29)/p+1