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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

InChI

InChI=1S/C25H33N3O5S/c1-20-8-4-5-9-24(20)33-19-25(29)26-22-18-21(34(30,31)28-14-16-32-17-15-28)10-11-23(22)27-12-6-2-3-7-13-27/h4-5,8-11,18H,2-3,6-7,12-17,19H2,1H3,(H,26,29)