2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(2-ethoxypyridin-3-yl)methyl]propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(2-ethoxypyridin-3-yl)methyl]propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(2-ethoxy-3-pyridyl)methyl]propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(2-ethoxypyridin-3-yl)methyl]propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(2-ethoxy-3-pyridyl)methyl]propionamide Formula: C20H25N3O6S MolecularWeight: 435.494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CNC(=O)C(C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC1=C(C=CC=N1)CNC(=O)C(C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H25N3O6S/c1-3-27-20-15(6-4-9-21-20)13-22-19(24)14(2)23-30(25,26)16-7-8-17-18(12-16)29-11-5-10-28-17/h4,6-9,12,14,23H,3,5,10-11,13H2,1-2H3,(H,22,24)