methyl 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-[3-(p-tolylsulfonyloxy)phenyl]propanoate CAS Name: 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(3-tosyloxyphenyl)propionic acid methyl ester Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CC(C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CC(C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H27NO7S/c1-15-9-11-18(12-10-15)31(26,27)30-17-8-6-7-16(13-17)14-19(20(24)28-5)23-21(25)29-22(2,3)4/h6-13,19H,14H2,1-5H3,(H,23,25)