(3-morpholin-4-ylsulfonylphenyl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC4=C(C=C3)OCCO4

InChI

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