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

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-propyl-ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-propyl-acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-propylacetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-propylacetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzoxazin-4-yl]-N-propyl-acetamide Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5S/c1-2-9-20-18(23)13-22-16-12-15(7-8-17(16)27-14-19(22)24)28(25,26)21-10-5-3-4-6-11-21/h7-8,12H,2-6,9-11,13-14H2,1H3,(H,20,23)