propan-2-yl 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]carbonylamino]propanoate

Systemtic Name: propan-2-yl 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]carbonylamino]propanoate Openeye Name: isopropyl 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoyl]amino]propanoate CAS Name: 3-[[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-oxomethyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoyl]amino]propanoate Traditional Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoyl]amino]propionic acid isopropyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)OC(=O)CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H26N2O7S/c1-15(2)31-21(25)10-11-23-22(26)16-4-6-17(7-5-16)24-32(27,28)18-8-9-19-20(14-18)30-13-3-12-29-19/h4-9,14-15,24H,3,10-13H2,1-2H3,(H,23,26)