3-(2-phenylethanoylamino)propane-1-sulfonic acid

Systemtic Name: 3-(2-phenylethanoylamino)propane-1-sulfonic acid Openeye Name: 3-[(2-phenylacetyl)amino]propane-1-sulfonic acid CAS Name: 3-[(1-oxo-2-phenylethyl)amino]-1-propanesulfonic acid IUPAC Name: 3-[(2-phenylacetyl)amino]propane-1-sulfonic acid Traditional Name: 3-[(2-phenylacetyl)amino]propane-1-sulfonic acid Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NCCCS(=O)(=O)O

InChI

InChI=1S/C11H15NO4S/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)