(3-morpholin-4-ylsulfonylphenyl)methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H21NO7S MolecularWeight: 419.44824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H21NO7S/c22-20(19-14-26-17-6-1-2-7-18(17)28-19)27-13-15-4-3-5-16(12-15)29(23,24)21-8-10-25-11-9-21/h1-7,12,19H,8-11,13-14H2/t19-/m0/s1