dimethyl 2-[2-[[(2-iodanylphenyl)-(4-methylphenyl)sulfonyl-amino]methyl]prop-2-enyl]propanedioate

Systemtic Name: dimethyl 2-[2-[[(2-iodanylphenyl)-(4-methylphenyl)sulfonyl-amino]methyl]prop-2-enyl]propanedioate Openeye Name: dimethyl 2-[2-[[2-iodo-N-(p-tolylsulfonyl)anilino]methyl]allyl]propanedioate CAS Name: 2-[2-[(2-iodo-N-(4-methylphenyl)sulfonylanilino)methyl]prop-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[(2-iodo-N-(4-methylphenyl)sulfonylanilino)methyl]prop-2-enyl]propanedioate Traditional Name: 2-[2-[(2-iodo-N-tosyl-anilino)methyl]allyl]malonic acid dimethyl ester Formula: C22H24INO6S MolecularWeight: 557.39853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=C)CC(C(=O)OC)C(=O)OC)C2=CC=CC=C2I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=C)CC(C(=O)OC)C(=O)OC)C2=CC=CC=C2I

InChI

InChI=1S/C22H24INO6S/c1-15-9-11-17(12-10-15)31(27,28)24(20-8-6-5-7-19(20)23)14-16(2)13-18(21(25)29-3)22(26)30-4/h5-12,18H,2,13-14H2,1,3-4H3