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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C(=O)CCCC)Br)C(=NS(=O)(=O)C1=CC=C(C=C1)C)OCC

Isomeric SMILES

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

InChI

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