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

Systemtic Name: ethyl 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanoylamino]benzoate Openeye Name: ethyl 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanoylamino]benzoate CAS Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanoylamino]benzoate Traditional Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)butanoylamino]benzoic acid ethyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7S/c1-2-29-22(26)16-6-8-17(9-7-16)24-21(25)5-3-12-23-32(27,28)18-10-11-19-20(15-18)31-14-4-13-30-19/h6-11,15,23H,2-5,12-14H2,1H3,(H,24,25)