(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl (2E,4E)-hexa-2,4-dienoate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl (2E,4E)-hexa-2,4-dienoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-3-5-6-7-20(24)28-15-19-21-17-14-16(8-9-18(17)23(19)4-2)29(25,26)22-10-12-27-13-11-22/h3,5-9,14H,4,10-13,15H2,1-2H3/b5-3+,7-6+