methyl 2-(iodanylmethyl)-3-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]propanoate

Systemtic Name: methyl 2-(iodanylmethyl)-3-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]propanoate Openeye Name: methyl 2-[[benzyl(p-tolylsulfonyl)amino]methyl]-3-iodo-propanoate CAS Name: 2-(iodomethyl)-3-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[benzyl-(4-methylphenyl)sulfonylamino]methyl]-3-iodopropanoate Traditional Name: 2-[[benzyl(tosyl)amino]methyl]-3-iodo-propionic acid methyl ester Formula: C19H22INO4S MolecularWeight: 487.35175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(CI)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(CI)C(=O)OC

InChI

InChI=1S/C19H22INO4S/c1-15-8-10-18(11-9-15)26(23,24)21(13-16-6-4-3-5-7-16)14-17(12-20)19(22)25-2/h3-11,17H,12-14H2,1-2H3