sodium 3-(2-phenylethanoylamino)propane-1-sulfonate

Systemtic Name: sodium 3-(2-phenylethanoylamino)propane-1-sulfonate Openeye Name: sodium 3-[(2-phenylacetyl)amino]propane-1-sulfonate CAS Name: sodium 3-[(1-oxo-2-phenylethyl)amino]-1-propanesulfonate IUPAC Name: sodium 3-[(2-phenylacetyl)amino]propane-1-sulfonate Traditional Name: sodium 3-[(2-phenylacetyl)amino]propane-1-sulfonate Formula: C11H14NNaO4S MolecularWeight: 279.28793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H15NO4S.Na/c13-11(9-10-5-2-1-3-6-10)12-7-4-8-17(14,15)16;/h1-3,5-6H,4,7-9H2,(H,12,13)(H,14,15,16);/q;+1/p-1