N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-fluoro-benzothiophene-2-carboxamide CAS Name: N-[4-[(2,6-dimethyl-4-pyrimidinyl)sulfamoyl]phenyl]-4-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-fluoro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-fluoro-benzothiophene-2-carboxamide Formula: C21H17FN4O3S2 MolecularWeight: 456.513083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H17FN4O3S2/c1-12-10-20(24-13(2)23-12)26-31(28,29)15-8-6-14(7-9-15)25-21(27)19-11-16-17(22)4-3-5-18(16)30-19/h3-11H,1-2H3,(H,25,27)(H,23,24,26)