2,3-dihydro-1,4-benzodioxin-3-ylmethyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C21H23NO7S MolecularWeight: 433.47482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2COC3=CC=CC=C3O2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2COC3=CC=CC=C3O2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H23NO7S/c1-15-6-7-16(12-20(15)30(24,25)22-8-10-26-11-9-22)21(23)28-14-17-13-27-18-4-2-3-5-19(18)29-17/h2-7,12,17H,8-11,13-14H2,1H3