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

Systemtic Name: (4-cyanophenyl)methyl (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Openeye Name: (4-cyanophenyl)methyl (2S)-3-methyl-2-[[(E)-styryl]sulfonylamino]butanoate CAS Name: (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-[[(E)-styryl]sulfonylamino]butyric acid (4-cyanobenzyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C#N)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

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