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

Systemtic Name: ethyl (E,1Z)-3-bromanyl-N-(4-methylphenyl)sulfonyl-4-oxidanylidene-2-(phenylmethyl)undec-2-enimidate Openeye Name: ethyl (E,1Z)-2-benzyl-3-bromo-4-oxo-N-(p-tolylsulfonyl)undec-2-enimidate CAS Name: (E,1Z)-3-bromo-N-(4-methylphenyl)sulfonyl-4-oxo-2-(phenylmethyl)-2-undecenimidic acid ethyl ester IUPAC Name: ethyl (E,1Z)-2-benzyl-3-bromo-N-(4-methylphenyl)sulfonyl-4-oxoundec-2-enimidate Traditional Name: (E,1Z)-2-benzyl-3-bromo-4-keto-N-tosyl-undec-2-enimidic acid ethyl ester Formula: C27H34BrNO4S MolecularWeight: 548.53216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C(=C(CC1=CC=CC=C1)C(=NS(=O)(=O)C2=CC=C(C=C2)C)OCC)Br

Isomeric SMILES

CCCCCCCC(=O)/C(=C(/CC1=CC=CC=C1)\C(=N\S(=O)(=O)C2=CC=C(C=C2)C)\OCC)/Br

InChI

InChI=1S/C27H34BrNO4S/c1-4-6-7-8-12-15-25(30)26(28)24(20-22-13-10-9-11-14-22)27(33-5-2)29-34(31,32)23-18-16-21(3)17-19-23/h9-11,13-14,16-19H,4-8,12,15,20H2,1-3H3/b26-24+,29-27-