(3-morpholin-4-ylsulfonylphenyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23NO7S/c23-21(14-16-4-5-19-20(13-16)28-11-10-27-19)29-15-17-2-1-3-18(12-17)30(24,25)22-6-8-26-9-7-22/h1-5,12-13H,6-11,14-15H2