[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C23H26N2O8S MolecularWeight: 490.52614

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26N2O8S/c26-22(24-14-18-3-7-20-21(13-18)33-16-32-20)15-31-23(27)8-4-17-1-5-19(6-2-17)34(28,29)25-9-11-30-12-10-25/h1-3,5-7,13H,4,8-12,14-16H2,(H,24,26)