N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-chloro-4-fluoro-N-mesyl-anilino)acetamide Formula: C21H25ClFN3O5S2 MolecularWeight: 518.021703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H25ClFN3O5S2/c1-32(28,29)26(17-8-11-20(23)19(22)14-17)15-21(27)24-16-6-9-18(10-7-16)33(30,31)25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3,(H,24,27)