2-azanyl-5-(3-oxidanylidenebutanoylamino)benzenesulfonate

Systemtic Name: 2-azanyl-5-(3-oxidanylidenebutanoylamino)benzenesulfonate Openeye Name: 2-amino-5-(3-oxobutanoylamino)benzenesulfonate CAS Name: 2-amino-5-(1,3-dioxobutylamino)benzenesulfonate IUPAC Name: 2-amino-5-(3-oxobutanoylamino)benzenesulfonate Traditional Name: 5-(acetoacetylamino)-2-amino-besylate Formula: C10H11N2O5S- MolecularWeight: 271.26974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC(=C(C=C1)N)S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)CC(=O)NC1=CC(=C(C=C1)N)S(=O)(=O)[O-]

InChI

InChI=1S/C10H12N2O5S/c1-6(13)4-10(14)12-7-2-3-8(11)9(5-7)18(15,16)17/h2-3,5H,4,11H2,1H3,(H,12,14)(H,15,16,17)/p-1