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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H24N2O7S/c1-3-14(2)22-20(24)13-30-21(25)16-6-4-5-7-17(16)23-31(26,27)15-8-9-18-19(12-15)29-11-10-28-18/h4-9,12,14,23H,3,10-11,13H2,1-2H3,(H,22,24)