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

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl (2E,4E)-hexa-2,4-dienoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)C=CC=CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)/C=C/C=C/C

InChI

InChI=1S/C21H27N3O4S/c1-3-5-7-10-21(25)28-16-20-22-18-15-17(11-12-19(18)24(20)4-2)29(26,27)23-13-8-6-9-14-23/h3,5,7,10-12,15H,4,6,8-9,13-14,16H2,1-2H3/b5-3+,10-7+