N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-fluorophenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-fluorophenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluoro-N-methylsulfonyl-anilino)butanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-fluoro-N-mesyl-anilino)butyramide Formula: C23H30FN3O5S2 MolecularWeight: 511.629803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30FN3O5S2/c1-3-22(27(33(2,29)30)20-12-8-18(24)9-13-20)23(28)25-19-10-14-21(15-11-19)34(31,32)26-16-6-4-5-7-17-26/h8-15,22H,3-7,16-17H2,1-2H3,(H,25,28)