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

Systemtic Name: 3-chloranyl-4-fluoranyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide Openeye Name: 3-chloro-4-fluoro-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide CAS Name: 3-chloro-4-fluoro-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide IUPAC Name: 3-chloro-4-fluoro-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide Traditional Name: 3-chloro-4-fluoro-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C18H19ClFN3O4S2 MolecularWeight: 459.942563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClFN3O4S2/c19-16-12-15(8-9-17(16)20)28(24,25)22-13-5-4-6-14(11-13)29(26,27)23-18-7-2-1-3-10-21-18/h4-6,8-9,11-12,22H,1-3,7,10H2,(H,21,23)