N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-chloranyl-4-fluoranyl-phenoxy)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-chloranyl-4-fluoranyl-phenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-chloro-4-fluoro-phenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(2-chloro-4-fluorophenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(2-chloro-4-fluorophenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-chloro-4-fluoro-phenoxy)acetamide Formula: C21H24ClFN2O5S MolecularWeight: 470.942063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H24ClFN2O5S/c1-29-20-9-7-16(31(27,28)25-10-4-2-3-5-11-25)13-18(20)24-21(26)14-30-19-8-6-15(23)12-17(19)22/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,24,26)