(2S)-4-methylsulfonyl-2-(2-pyrazol-1-ylethanoylamino)butanoate

Systemtic Name: (2S)-4-methylsulfonyl-2-(2-pyrazol-1-ylethanoylamino)butanoate Openeye Name: (2S)-4-methylsulfonyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoate CAS Name: (2S)-4-methylsulfonyl-2-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfonyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoate Traditional Name: (2S)-4-mesyl-2-[(2-pyrazol-1-ylacetyl)amino]butyrate Formula: C10H14N3O5S- MolecularWeight: 288.30026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)CN1C=CC=N1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)CN1C=CC=N1

InChI

InChI=1S/C10H15N3O5S/c1-19(17,18)6-3-8(10(15)16)12-9(14)7-13-5-2-4-11-13/h2,4-5,8H,3,6-7H2,1H3,(H,12,14)(H,15,16)/p-1/t8-/m0/s1