N-[2-(3,4-diethoxyphenyl)ethyl]-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide Openeye Name: 4-acetyl-N-[2-(3,4-diethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide CAS Name: 4-acetyl-N-[2-(3,4-diethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide IUPAC Name: 4-acetyl-N-[2-(3,4-diethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide Traditional Name: 4-acetyl-N-[2-(3,4-diethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCN3C(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCN3C(=O)C)OCC

InChI

InChI=1S/C22H28N2O6S/c1-4-28-21-8-6-17(14-22(21)29-5-2)10-11-23-31(26,27)18-7-9-20-19(15-18)24(16(3)25)12-13-30-20/h6-9,14-15,23H,4-5,10-13H2,1-3H3