(2-azanyl-2-oxidanylidene-ethyl) 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoic acid (2-amino-2-keto-ethyl) ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC(=O)N)OC1

InChI

InChI=1S/C18H18N2O7S/c19-17(21)11-27-18(22)12-2-4-13(5-3-12)20-28(23,24)14-6-7-15-16(10-14)26-9-1-8-25-15/h2-7,10,20H,1,8-9,11H2,(H2,19,21)