4-azanylbenzenesulfonic acid; 3-oxidanylidenebutanamide

Systemtic Name: 4-azanylbenzenesulfonic acid; 3-oxidanylidenebutanamide Openeye Name: 4-aminobenzenesulfonic acid; 3-oxobutanamide CAS Name: 4-aminobenzenesulfonic acid; 3-oxobutanamide IUPAC Name: 4-aminobenzenesulfonic acid; 3-oxobutanamide Traditional Name: acetoacetamide; 4-aminobesylic acid Formula: C10H14N2O5S MolecularWeight: 274.29356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N.C1=CC(=CC=C1N)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)N.C1=CC(=CC=C1N)S(=O)(=O)O

InChI

InChI=1S/C6H7NO3S.C4H7NO2/c7-5-1-3-6(4-2-5)11(8,9)10;1-3(6)2-4(5)7/h1-4H,7H2,(H,8,9,10);2H2,1H3,(H2,5,7)