N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfonyl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfonyl]ethanamide Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfonyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)sulfonyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CS(=O)(=O)CC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CS(=O)(=O)CC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H23NO7S/c1-14(23)15-4-6-18(27-2)16(10-15)12-30(25,26)13-21(24)22-17-5-7-19-20(11-17)29-9-3-8-28-19/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,22,24)