4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-ethylsulfonylphenyl)-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-ethylsulfonylphenyl)-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-ethylsulfonylphenyl)-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-ethylsulfonylphenyl)-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-ethylsulfonylphenyl)-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-esylphenyl)-4-keto-butyramide Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H23NO6S/c1-2-29(25,26)17-7-5-16(6-8-17)22-21(24)11-9-18(23)15-4-10-19-20(14-15)28-13-3-12-27-19/h4-8,10,14H,2-3,9,11-13H2,1H3,(H,22,24)