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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-chloranyl-4-cyano-phenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-chloro-4-cyano-phenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(2-chloro-4-cyanophenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(2-chloro-4-cyanophenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-chloro-4-cyano-phenoxy)acetamide Formula: C22H24ClN3O5S MolecularWeight: 477.96106

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O5S/c1-30-21-9-7-17(32(28,29)26-10-4-2-3-5-11-26)13-19(21)25-22(27)15-31-20-8-6-16(14-24)12-18(20)23/h6-9,12-13H,2-5,10-11,15H2,1H3,(H,25,27)