N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-(4-methoxyphenoxy)ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-(4-methoxyphenoxy)ethanamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-(4-methoxyphenoxy)acetamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2-(4-methoxyphenoxy)acetamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-(4-methoxyphenoxy)acetamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-(4-methoxyphenoxy)acetamide Formula: C25H33N3O6S MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

InChI

InChI=1S/C25H33N3O6S/c1-32-20-6-8-21(9-7-20)34-19-25(29)26-23-18-22(35(30,31)28-14-16-33-17-15-28)10-11-24(23)27-12-4-2-3-5-13-27/h6-11,18H,2-5,12-17,19H2,1H3,(H,26,29)