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

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]acetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzoxazin-4-yl]-N-(2-p-phenetylethyl)acetamide Formula: C26H33N3O6S MolecularWeight: 515.62172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)CCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H33N3O6S/c1-2-34-21-9-7-20(8-10-21)13-14-27-25(30)18-29-23-17-22(11-12-24(23)35-19-26(29)31)36(32,33)28-15-5-3-4-6-16-28/h7-12,17H,2-6,13-16,18-19H2,1H3,(H,27,30)