N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-fluoranyl-4-methoxy-benzamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-fluoranyl-4-methoxy-benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-fluoro-4-methoxy-benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-fluoro-4-methoxybenzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-fluoro-4-methoxybenzamide Traditional Name: 3-fluoro-4-methoxy-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C18H19FN3O4S+ MolecularWeight: 392.424563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)F

InChI

InChI=1S/C18H18FN3O4S/c1-26-16-8-7-12(10-15(16)19)18(23)21-13-4-2-5-14(11-13)27(24,25)22-17-6-3-9-20-17/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,22)(H,21,23)/p+1