N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloranyl-2-fluoranyl-benzenesulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloranyl-2-fluoranyl-benzenesulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloro-2-fluoro-benzenesulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-chloro-2-fluorobenzenesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloro-2-fluorobenzenesulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloro-2-fluoro-benzenesulfonamide Formula: C18H20ClFN2O4S2 MolecularWeight: 446.943803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C18H20ClFN2O4S2/c19-14-5-10-18(17(20)13-14)27(23,24)21-15-6-8-16(9-7-15)28(25,26)22-11-3-1-2-4-12-22/h5-10,13,21H,1-4,11-12H2