3-[[4-(methylsulfonylaminomethyl)phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-(methylsulfonylaminomethyl)phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(methanesulfonamidomethyl)anilino]-3-oxo-propanoic acid CAS Name: 3-[4-(methanesulfonamidomethyl)anilino]-3-oxopropanoic acid IUPAC Name: 3-[4-(methanesulfonamidomethyl)anilino]-3-oxopropanoic acid Traditional Name: 3-keto-3-[4-(methanesulfonamidomethyl)anilino]propionic acid Formula: C11H14N2O5S MolecularWeight: 286.30426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=CC=C(C=C1)NC(=O)CC(=O)O

Isomeric SMILES

CS(=O)(=O)NCC1=CC=C(C=C1)NC(=O)CC(=O)O

InChI

InChI=1S/C11H14N2O5S/c1-19(17,18)12-7-8-2-4-9(5-3-8)13-10(14)6-11(15)16/h2-5,12H,6-7H2,1H3,(H,13,14)(H,15,16)