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

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-(4-methoxyphenyl)acetamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O5S/c1-32-21-8-6-20(7-9-21)18-25(29)26-23-19-22(34(30,31)28-14-16-33-17-15-28)10-11-24(23)27-12-4-2-3-5-13-27/h6-11,19H,2-5,12-18H2,1H3,(H,26,29)