N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,5-dimethyl-isoxazole-4-sulfonamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,5-dimethyl-4-isoxazolesulfonamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Traditional Name: 3,5-dimethyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]isoxazole-4-sulfonamide Formula: C15H19N4O5S2+ MolecularWeight: 399.46516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C15H18N4O5S2/c1-10-15(11(2)24-17-10)26(22,23)18-12-5-3-6-13(9-12)25(20,21)19-14-7-4-8-16-14/h3,5-6,9,18H,4,7-8H2,1-2H3,(H,16,19)/p+1