N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(2-chloro-6-fluorophenyl)methylthio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-chloro-6-fluoro-benzyl)thio]acetamide Formula: C21H24ClFN2O3S2 MolecularWeight: 471.008263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H24ClFN2O3S2/c22-19-6-5-7-20(23)18(19)14-29-15-21(26)24-16-8-10-17(11-9-16)30(27,28)25-12-3-1-2-4-13-25/h5-11H,1-4,12-15H2,(H,24,26)