(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C28H31NO6S MolecularWeight: 509.61384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C)C(C)(C)C

InChI

InChI=1S/C28H31NO6S/c1-18-14-20(28(3,4)5)15-19(2)23(18)17-35-27(30)22-8-6-7-9-24(22)29-36(31,32)21-10-11-25-26(16-21)34-13-12-33-25/h6-11,14-16,29H,12-13,17H2,1-5H3