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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: [2-oxo-2-(propylamino)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-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)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-keto-2-(propylamino)ethyl] ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/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/h3-8,12,22H,2,9-11,13H2,1H3,(H,21,23)