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

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(3-ethoxypropyl)ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-ethoxypropyl)acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-ethoxypropyl)acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-ethoxypropyl)acetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzoxazin-4-yl]-N-(3-ethoxypropyl)acetamide Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O6S/c1-2-29-13-7-10-22-20(25)15-24-18-14-17(8-9-19(18)30-16-21(24)26)31(27,28)23-11-5-3-4-6-12-23/h8-9,14H,2-7,10-13,15-16H2,1H3,(H,22,25)