1,3-benzodioxol-5-ylmethyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid piperonyl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H21NO7S/c1-14-2-4-16(11-19(14)29(23,24)21-6-8-25-9-7-21)20(22)26-12-15-3-5-17-18(10-15)28-13-27-17/h2-5,10-11H,6-9,12-13H2,1H3