(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methylsulfonyloxyphenyl)ethanoate

Systemtic Name: (phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methylsulfonyloxyphenyl)ethanoate Openeye Name: benzyl 2-(tert-butoxycarbonylamino)-2-(4-methylsulfonyloxyphenyl)acetate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(4-methylsulfonyloxyphenyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methylsulfonyloxyphenyl)acetate Traditional Name: 2-(tert-butoxycarbonylamino)-2-(4-methylsulfonyloxyphenyl)acetic acid benzyl ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO7S/c1-21(2,3)28-20(24)22-18(19(23)27-14-15-8-6-5-7-9-15)16-10-12-17(13-11-16)29-30(4,25)26/h5-13,18H,14H2,1-4H3,(H,22,24)