[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate

Systemtic Name: [2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Openeye Name: [2-[(2R,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl] 3-[[(E)-styryl]sulfonylamino]propanoate CAS Name: 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid [2-[(2R,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Traditional Name: 3-[[(E)-styryl]sulfonylamino]propionic acid [2-[(2R,6S)-2,6-dimethylpiperidino]-2-keto-ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)CCNS(=O)(=O)C=CC2=CC=CC=C2)C

Isomeric SMILES

C[C@@H]1CCC[C@@H](N1C(=O)COC(=O)CCNS(=O)(=O)/C=C/C2=CC=CC=C2)C

InChI

InChI=1S/C20H28N2O5S/c1-16-7-6-8-17(2)22(16)19(23)15-27-20(24)11-13-21-28(25,26)14-12-18-9-4-3-5-10-18/h3-5,9-10,12,14,16-17,21H,6-8,11,13,15H2,1-2H3/b14-12+/t16-,17+