(2,5-dimethylphenyl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate

Systemtic Name: (2,5-dimethylphenyl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Openeye Name: (2,5-dimethylphenyl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid (2,5-dimethylbenzyl) ester Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C23H29NO6S/c1-17-7-8-18(2)19(14-17)16-30-23(25)6-4-3-5-11-24-31(26,27)20-9-10-21-22(15-20)29-13-12-28-21/h7-10,14-15,24H,3-6,11-13,16H2,1-2H3