N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloranyl-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloranyl-4-fluoranyl-benzenesulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloro-4-fluoro-benzenesulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-chloro-4-fluorobenzenesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloro-4-fluorobenzenesulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloro-4-fluoro-benzenesulfonamide Formula: C18H20ClFN2O4S2 MolecularWeight: 446.943803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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