dimethyl 2-but-2-ynyl-2-[(E)-4-[but-2-ynyl-(4-methylphenyl)sulfonyl-amino]but-2-enyl]propanedioate

Systemtic Name: dimethyl 2-but-2-ynyl-2-[(E)-4-[but-2-ynyl-(4-methylphenyl)sulfonyl-amino]but-2-enyl]propanedioate Openeye Name: dimethyl 2-but-2-ynyl-2-[(E)-4-[but-2-ynyl(p-tolylsulfonyl)amino]but-2-enyl]propanedioate CAS Name: 2-but-2-ynyl-2-[(E)-4-[but-2-ynyl-(4-methylphenyl)sulfonylamino]but-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-but-2-ynyl-2-[(E)-4-[but-2-ynyl-(4-methylphenyl)sulfonylamino]but-2-enyl]propanedioate Traditional Name: 2-but-2-ynyl-2-[(E)-4-[but-2-ynyl(tosyl)amino]but-2-enyl]malonic acid dimethyl ester Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(CC=CCN(CC#CC)S(=O)(=O)C1=CC=C(C=C1)C)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC#CCC(C/C=C/CN(CC#CC)S(=O)(=O)C1=CC=C(C=C1)C)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C24H29NO6S/c1-6-8-16-24(22(26)30-4,23(27)31-5)17-10-11-19-25(18-9-7-2)32(28,29)21-14-12-20(3)13-15-21/h10-15H,16-19H2,1-5H3/b11-10+