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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-fluoro-benzothiophene-2-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]benzothiophene-2-carboxamide Formula: C19H16FN3O3S2 MolecularWeight: 417.477043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C19H16FN3O3S2/c20-15-6-2-7-16-14(15)11-17(27-16)19(24)22-12-4-1-5-13(10-12)28(25,26)23-18-8-3-9-21-18/h1-2,4-7,10-11H,3,8-9H2,(H,21,23)(H,22,24)