sodium 3-[2-[2-(aminocarbonylamino)phenyl]ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 3-[2-[2-(aminocarbonylamino)phenyl]ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 2-oxo-3-[[2-(2-ureidophenyl)acetyl]amino]azetidine-1-sulfonate CAS Name: sodium 3-[[2-[2-(carbamoylamino)phenyl]-1-oxoethyl]amino]-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[[2-[2-(carbamoylamino)phenyl]acetyl]amino]-2-oxoazetidine-1-sulfonate Traditional Name: sodium 2-keto-3-[[2-(2-ureidophenyl)acetyl]amino]azetidine-1-sulfonate Formula: C12H13N4NaO6S MolecularWeight: 364.30959

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)CC2=CC=CC=C2NC(=O)N.[Na+]

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)CC2=CC=CC=C2NC(=O)N.[Na+]

InChI

InChI=1S/C12H14N4O6S.Na/c13-12(19)15-8-4-2-1-3-7(8)5-10(17)14-9-6-16(11(9)18)23(20,21)22;/h1-4,9H,5-6H2,(H,14,17)(H3,13,15,19)(H,20,21,22);/q;+1/p-1