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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-cyano-2-methoxy-phenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-cyano-2-methoxy-phenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-cyano-2-methoxy-phenoxy)acetamide Formula: C23H27N3O6S MolecularWeight: 473.54198

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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)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COC3=C(C=C(C=C3)C#N)OC

InChI

InChI=1S/C23H27N3O6S/c1-30-20-10-8-18(33(28,29)26-11-5-3-4-6-12-26)14-19(20)25-23(27)16-32-21-9-7-17(15-24)13-22(21)31-2/h7-10,13-14H,3-6,11-12,16H2,1-2H3,(H,25,27)