imidazol-1-yl (E)-2-(2-methylsulfonylphenyl)hept-5-enoate

Systemtic Name: imidazol-1-yl (E)-2-(2-methylsulfonylphenyl)hept-5-enoate Openeye Name: imidazol-1-yl (E)-2-(2-methylsulfonylphenyl)hept-5-enoate CAS Name: (E)-2-(2-methylsulfonylphenyl)-5-heptenoic acid 1-imidazolyl ester IUPAC Name: imidazol-1-yl (E)-2-(2-methylsulfonylphenyl)hept-5-enoate Traditional Name: (E)-2-(2-mesylphenyl)hept-5-enoic acid imidazol-1-yl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCCC(C1=CC=CC=C1S(=O)(=O)C)C(=O)ON2C=CN=C2

Isomeric SMILES

C/C=C/CCC(C1=CC=CC=C1S(=O)(=O)C)C(=O)ON2C=CN=C2

InChI

InChI=1S/C17H20N2O4S/c1-3-4-5-9-15(17(20)23-19-12-11-18-13-19)14-8-6-7-10-16(14)24(2,21)22/h3-4,6-8,10-13,15H,5,9H2,1-2H3/b4-3+