3-[2-[2-[aminocarbonyl(sulfo)amino]phenyl]ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[2-[2-[aminocarbonyl(sulfo)amino]phenyl]ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-[2-[carbamoyl(sulfo)amino]phenyl]acetyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-[2-[carbamoyl(sulfo)amino]phenyl]-1-oxoethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-[2-[carbamoyl(sulfo)amino]phenyl]acetyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-[2-[carbamoyl(sulfo)amino]phenyl]acetyl]amino]-2-keto-azetidine-1-sulfonic acid Formula: C12H14N4O9S2 MolecularWeight: 422.39096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)O)NC(=O)CC2=CC=CC=C2N(C(=O)N)S(=O)(=O)O

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)O)NC(=O)CC2=CC=CC=C2N(C(=O)N)S(=O)(=O)O

InChI

InChI=1S/C12H14N4O9S2/c13-12(19)16(27(23,24)25)9-4-2-1-3-7(9)5-10(17)14-8-6-15(11(8)18)26(20,21)22/h1-4,8H,5-6H2,(H2,13,19)(H,14,17)(H,20,21,22)(H,23,24,25)