(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 1,3-benzodioxole-5-carboxylate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C22H23N3O7S MolecularWeight: 473.49892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O7S/c1-2-25-18-5-4-16(33(27,28)24-7-9-29-10-8-24)12-17(18)23-21(25)13-30-22(26)15-3-6-19-20(11-15)32-14-31-19/h3-6,11-12H,2,7-10,13-14H2,1H3