(phenylmethyl) 3-(4-methoxyphenyl)sulfonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-(4-methoxyphenyl)sulfonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: benzyl 2-(tert-butoxycarbonylamino)-3-(4-methoxyphenyl)sulfonyl-propanoate CAS Name: 3-(4-methoxyphenyl)sulfonyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-methoxyphenyl)sulfonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-methoxyphenyl)sulfonyl-propionic acid benzyl ester Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)OC)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)OC)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO7S/c1-22(2,3)30-21(25)23-19(20(24)29-14-16-8-6-5-7-9-16)15-31(26,27)18-12-10-17(28-4)11-13-18/h5-13,19H,14-15H2,1-4H3,(H,23,25)