[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C16H23FN2O5S MolecularWeight: 374.427623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC(=O)NCC1=CC=C(C=C1)F

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NCC1=CC=C(C=C1)F

InChI

InChI=1S/C16H23FN2O5S/c1-3-4-9-25(22,23)19-12(2)16(21)24-11-15(20)18-10-13-5-7-14(17)8-6-13/h5-8,12,19H,3-4,9-11H2,1-2H3,(H,18,20)/t12-/m0/s1