1,3-benzodioxol-5-ylmethyl 3-(1-methyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 3-(1-methyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 3-(1-methyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoate CAS Name: 3-[1-methyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]propanoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-methyl-5-morpholinosulfonyl-benzimidazol-2-yl)propionic acid piperonyl ester Formula: C23H25N3O7S MolecularWeight: 487.5255

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N3O7S/c1-25-19-4-3-17(34(28,29)26-8-10-30-11-9-26)13-18(19)24-22(25)6-7-23(27)31-14-16-2-5-20-21(12-16)33-15-32-20/h2-5,12-13H,6-11,14-15H2,1H3