3-azanyl-1-oxidanylidene-1-phenyl-propane-2-sulfonic acid

Systemtic Name: 3-azanyl-1-oxidanylidene-1-phenyl-propane-2-sulfonic acid Openeye Name: 3-amino-1-oxo-1-phenyl-propane-2-sulfonic acid CAS Name: 3-amino-1-oxo-1-phenyl-2-propanesulfonic acid IUPAC Name: 3-amino-1-oxo-1-phenylpropane-2-sulfonic acid Traditional Name: 3-amino-1-keto-1-phenyl-propane-2-sulfonic acid Formula: C9H11NO4S MolecularWeight: 229.25294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(CN)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(CN)S(=O)(=O)O

InChI

InChI=1S/C9H11NO4S/c10-6-8(15(12,13)14)9(11)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,12,13,14)