[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C=CCNC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H20N2O7S/c1-2-9-21-19(23)13-29-20(24)14-3-5-15(6-4-14)22-30(25,26)16-7-8-17-18(12-16)28-11-10-27-17/h2-8,12,22H,1,9-11,13H2,(H,21,23)