ethyl 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]benzoate Openeye Name: ethyl 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]benzoate CAS Name: 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]benzoate Traditional Name: 4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoylamino]benzoic acid ethyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H24N2O7S/c1-2-28-21(25)15-4-6-16(7-5-15)23-20(24)10-11-22-31(26,27)17-8-9-18-19(14-17)30-13-3-12-29-18/h4-9,14,22H,2-3,10-13H2,1H3,(H,23,24)