N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-chloranyl-4,5-bis(fluoranyl)benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-chloranyl-4,5-bis(fluoranyl)benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-chloro-4,5-difluoro-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-chloro-4,5-difluorobenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-chloro-4,5-difluorobenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-chloro-4,5-difluoro-benzamide Formula: C20H21ClF2N2O4S MolecularWeight: 458.906546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC(=C(C=C3Cl)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC(=C(C=C3Cl)F)F

InChI

InChI=1S/C20H21ClF2N2O4S/c1-29-19-7-6-13(30(27,28)25-8-4-2-3-5-9-25)10-18(19)24-20(26)14-11-16(22)17(23)12-15(14)21/h6-7,10-12H,2-5,8-9H2,1H3,(H,24,26)