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

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzoxazin-4-yl]-N-(3-methoxyphenyl)acetamide Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H27N3O6S/c1-31-18-8-6-7-17(13-18)24-22(27)15-26-20-14-19(9-10-21(20)32-16-23(26)28)33(29,30)25-11-4-2-3-5-12-25/h6-10,13-14H,2-5,11-12,15-16H2,1H3,(H,24,27)