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

Systemtic Name: dimethyl 2-[4-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]but-2-ynyl]-2-prop-2-enyl-propanedioate Openeye Name: dimethyl 2-allyl-2-[4-[allyl(p-tolylsulfonyl)amino]but-2-ynyl]propanedioate CAS Name: 2-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]but-2-ynyl]-2-prop-2-enylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]but-2-ynyl]-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-[4-[allyl(tosyl)amino]but-2-ynyl]malonic acid dimethyl ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC#CCC(CC=C)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC#CCC(CC=C)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H27NO6S/c1-6-14-22(20(24)28-4,21(25)29-5)15-8-9-17-23(16-7-2)30(26,27)19-12-10-18(3)11-13-19/h6-7,10-13H,1-2,14-17H2,3-5H3