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

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(3-propan-2-yloxypropyl)ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-isopropoxypropyl)acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzoxazin-4-yl]-N-(3-isopropoxypropyl)acetamide Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)OCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H33N3O6S/c1-17(2)30-13-7-10-23-21(26)15-25-19-14-18(8-9-20(19)31-16-22(25)27)32(28,29)24-11-5-3-4-6-12-24/h8-9,14,17H,3-7,10-13,15-16H2,1-2H3,(H,23,26)