N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(p-phenetylsulfonylamino)propionamide Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H24N2O6S/c1-2-26-16-5-7-17(8-6-16)29(24,25)21-11-10-20(23)22-15-4-9-18-19(14-15)28-13-3-12-27-18/h4-9,14,21H,2-3,10-13H2,1H3,(H,22,23)