(phenylmethyl) (2S)-2-[(4-cyanophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(4-cyanophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate Openeye Name: benzyl (2S)-2-[tert-butoxycarbonyl-(4-cyanophenyl)sulfonyl-amino]propanoate CAS Name: (2S)-2-[(4-cyanophenyl)sulfonyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(4-cyanophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate Traditional Name: (2S)-2-[tert-butoxycarbonyl-(4-cyanophenyl)sulfonyl-amino]propionic acid benzyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H24N2O6S/c1-16(20(25)29-15-18-8-6-5-7-9-18)24(21(26)30-22(2,3)4)31(27,28)19-12-10-17(14-23)11-13-19/h5-13,16H,15H2,1-4H3/t16-/m0/s1