dimethyl 2-hept-2-ynyl-2-[(Z)-3-iodanyl-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]propanedioate

Systemtic Name: dimethyl 2-hept-2-ynyl-2-[(Z)-3-iodanyl-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]propanedioate Openeye Name: dimethyl 2-hept-2-ynyl-2-[(Z)-3-iodo-4-(p-tolylsulfonylamino)but-2-enyl]propanedioate CAS Name: 2-hept-2-ynyl-2-[(Z)-3-iodo-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-hept-2-ynyl-2-[(Z)-3-iodo-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]propanedioate Traditional Name: 2-hept-2-ynyl-2-[(Z)-3-iodo-4-(tosylamino)but-2-enyl]malonic acid dimethyl ester Formula: C23H30INO6S MolecularWeight: 575.45687

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCC(CC=C(CNS(=O)(=O)C1=CC=C(C=C1)C)I)(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCC#CCC(C/C=C(/CNS(=O)(=O)C1=CC=C(C=C1)C)\I)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H30INO6S/c1-5-6-7-8-9-15-23(21(26)30-3,22(27)31-4)16-14-19(24)17-25-32(28,29)20-12-10-18(2)11-13-20/h10-14,25H,5-7,15-17H2,1-4H3/b19-14-