N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3-fluoranyl-4-methoxy-phenyl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3-fluoranyl-4-methoxy-phenyl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3-fluoro-4-methoxy-phenyl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(3-fluoro-4-methoxyphenyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(3-fluoro-4-methoxyphenyl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3-fluoro-4-methoxy-phenyl)acetamide Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C22H27FN2O5S/c1-29-20-9-7-16(13-18(20)23)14-22(26)24-19-15-17(8-10-21(19)30-2)31(27,28)25-11-5-3-4-6-12-25/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,24,26)