N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-fluoranylphenoxy)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-fluoranylphenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-fluorophenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(2-fluorophenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(2-fluorophenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-fluorophenoxy)acetamide Formula: C20H22ClFN2O4S MolecularWeight: 440.916083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=CC=CC=C3F

InChI

InChI=1S/C20H22ClFN2O4S/c21-16-10-9-15(29(26,27)24-11-5-1-2-6-12-24)13-18(16)23-20(25)14-28-19-8-4-3-7-17(19)22/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,23,25)