3-chloranyl-6-fluoranyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzothiophene-2-carboxamide Formula: C21H19ClFN3O3S2 MolecularWeight: 479.975263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C21H19ClFN3O3S2/c22-19-16-10-5-13(23)12-17(16)30-20(19)21(27)25-14-6-8-15(9-7-14)31(28,29)26-18-4-2-1-3-11-24-18/h5-10,12H,1-4,11H2,(H,24,26)(H,25,27)