N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-cyanophenoxy)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-cyanophenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-cyanophenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(2-cyanophenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(2-cyanophenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-cyanophenoxy)acetamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C22H25N3O5S/c1-29-21-11-10-18(31(27,28)25-12-6-2-3-7-13-25)14-19(21)24-22(26)16-30-20-9-5-4-8-17(20)15-23/h4-5,8-11,14H,2-3,6-7,12-13,16H2,1H3,(H,24,26)