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

Systemtic Name: (2-cyanophenyl)methyl (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Openeye Name: (2-cyanophenyl)methyl (2S)-3-methyl-2-[[(E)-styryl]sulfonylamino]butanoate CAS Name: (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-[[(E)-styryl]sulfonylamino]butyric acid (2-cyanobenzyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1C#N)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1C#N)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O4S/c1-16(2)20(21(24)27-15-19-11-7-6-10-18(19)14-22)23-28(25,26)13-12-17-8-4-3-5-9-17/h3-13,16,20,23H,15H2,1-2H3/b13-12+/t20-/m0/s1