N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: 2-(3-keto-1,4-benzoxazin-4-yl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]acetamide Formula: C20H21N4O5S+ MolecularWeight: 429.46954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C20H20N4O5S/c25-19(12-24-16-7-1-2-8-17(16)29-13-20(24)26)22-14-5-3-6-15(11-14)30(27,28)23-18-9-4-10-21-18/h1-3,5-8,11H,4,9-10,12-13H2,(H,21,23)(H,22,25)/p+1