2-azanylbenzenesulfonic acid; 3,4-bis(bromanyl)azetidin-2-one

Systemtic Name: 2-azanylbenzenesulfonic acid; 3,4-bis(bromanyl)azetidin-2-one Openeye Name: 2-aminobenzenesulfonic acid; 3,4-dibromoazetidin-2-one CAS Name: 2-aminobenzenesulfonic acid; 3,4-dibromo-2-azetidinone IUPAC Name: 2-aminobenzenesulfonic acid; 3,4-dibromoazetidin-2-one Traditional Name: 2-aminobesylic acid; 3,4-dibromoazetidin-2-one Formula: C9H10Br2N2O4S MolecularWeight: 402.0597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)S(=O)(=O)O.C1(C(NC1=O)Br)Br

Isomeric SMILES

C1=CC=C(C(=C1)N)S(=O)(=O)O.C1(C(NC1=O)Br)Br

InChI

InChI=1S/C6H7NO3S.C3H3Br2NO/c7-5-3-1-2-4-6(5)11(8,9)10;4-1-2(5)6-3(1)7/h1-4H,7H2,(H,8,9,10);1-2H,(H,6,7)