(4-nitrophenyl)methyl (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate

Systemtic Name: (4-nitrophenyl)methyl (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Openeye Name: (4-nitrophenyl)methyl (2S)-3-methyl-2-[[(E)-styryl]sulfonylamino]butanoate CAS Name: (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-[[(E)-styryl]sulfonylamino]butyric acid (4-nitrobenzyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6S/c1-15(2)19(21-29(26,27)13-12-16-6-4-3-5-7-16)20(23)28-14-17-8-10-18(11-9-17)22(24)25/h3-13,15,19,21H,14H2,1-2H3/b13-12+/t19-/m0/s1