1,3-benzodioxol-5-yl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: 1,3-benzodioxol-5-yl 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid 1,3-benzodioxol-5-yl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OC3=CC4=C(C=C3)OCO4

InChI

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