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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 3-(tert-butylsulfamoyl)-4-chloranyl-benzoate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 3-(tert-butylsulfamoyl)-4-chloro-benzoate CAS Name: 3-(tert-butylsulfamoyl)-4-chlorobenzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 3-(tert-butylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(tert-butylsulfamoyl)-4-chloro-benzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C20H22ClNO6S MolecularWeight: 439.90978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2COC3=CC=CC=C3O2)Cl

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2COC3=CC=CC=C3O2)Cl

InChI

InChI=1S/C20H22ClNO6S/c1-20(2,3)22-29(24,25)18-10-13(8-9-15(18)21)19(23)27-12-14-11-26-16-6-4-5-7-17(16)28-14/h4-10,14,22H,11-12H2,1-3H3