2,3-dihydro-1,4-benzodioxin-3-ylmethyl 5-(tert-butylsulfamoyl)-2-methyl-benzoate

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 5-(tert-butylsulfamoyl)-2-methyl-benzoate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 5-(tert-butylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(tert-butylsulfamoyl)-2-methylbenzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 5-(tert-butylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(tert-butylsulfamoyl)-2-methyl-benzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C)C)C(=O)OCC2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C)C)C(=O)OCC2COC3=CC=CC=C3O2

InChI

InChI=1S/C21H25NO6S/c1-14-9-10-16(29(24,25)22-21(2,3)4)11-17(14)20(23)27-13-15-12-26-18-7-5-6-8-19(18)28-15/h5-11,15,22H,12-13H2,1-4H3