ethyl (E,1Z)-3-bromanyl-2-methyl-N-(4-methylphenyl)sulfonyl-4-oxidanylidene-undec-2-enimidate

Systemtic Name: ethyl (E,1Z)-3-bromanyl-2-methyl-N-(4-methylphenyl)sulfonyl-4-oxidanylidene-undec-2-enimidate Openeye Name: ethyl (E,1Z)-3-bromo-2-methyl-4-oxo-N-(p-tolylsulfonyl)undec-2-enimidate CAS Name: (E,1Z)-3-bromo-2-methyl-N-(4-methylphenyl)sulfonyl-4-oxo-2-undecenimidic acid ethyl ester IUPAC Name: ethyl (E,1Z)-3-bromo-2-methyl-N-(4-methylphenyl)sulfonyl-4-oxoundec-2-enimidate Traditional Name: (E,1Z)-3-bromo-4-keto-2-methyl-N-tosyl-undec-2-enimidic acid ethyl ester Formula: C21H30BrNO4S MolecularWeight: 472.4362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C(=C(C)C(=NS(=O)(=O)C1=CC=C(C=C1)C)OCC)Br

Isomeric SMILES

CCCCCCCC(=O)/C(=C(/C)\C(=N\S(=O)(=O)C1=CC=C(C=C1)C)\OCC)/Br

InChI

InChI=1S/C21H30BrNO4S/c1-5-7-8-9-10-11-19(24)20(22)17(4)21(27-6-2)23-28(25,26)18-14-12-16(3)13-15-18/h12-15H,5-11H2,1-4H3/b20-17+,23-21-