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

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 3,3-dimethylbutanoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CC(C)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CC(C)(C)C

InChI

InChI=1S/C20H29N3O5S/c1-5-23-17-7-6-15(29(25,26)22-8-10-27-11-9-22)12-16(17)21-18(23)14-28-19(24)13-20(2,3)4/h6-7,12H,5,8-11,13-14H2,1-4H3