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

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl (2E,4E)-hexa-2,4-dienoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C=CC=CC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)/C=C/C=C/C

InChI

InChI=1S/C21H27N3O5S/c1-3-5-6-7-21(25)29-16-20-22-18-15-17(8-9-19(18)24(20)10-4-2)30(26,27)23-11-13-28-14-12-23/h3,5-9,15H,4,10-14,16H2,1-2H3/b5-3+,7-6+