N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-3-(methoxymethyl)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzothiophene-2-carboxamide Formula: C21H21FN3O4S2+ MolecularWeight: 462.537543

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C21H20FN3O4S2/c1-29-12-15-19-16(22)7-3-8-17(19)30-20(15)21(26)24-13-5-2-6-14(11-13)31(27,28)25-18-9-4-10-23-18/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,23,25)(H,24,26)/p+1