2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzoxazin-4-yl]-N-(3-methoxypropyl)acetamide Formula: C20H29N3O6S MolecularWeight: 439.52576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N3O6S/c1-28-12-6-9-21-19(24)14-23-17-13-16(7-8-18(17)29-15-20(23)25)30(26,27)22-10-4-2-3-5-11-22/h7-8,13H,2-6,9-12,14-15H2,1H3,(H,21,24)