3-[2-[2-[(aminocarbonylamino)methyl]phenyl]ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[2-[2-[(aminocarbonylamino)methyl]phenyl]ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 2-oxo-3-[[2-[2-(ureidomethyl)phenyl]acetyl]amino]azetidine-1-sulfonic acid CAS Name: 3-[[2-[2-[(carbamoylamino)methyl]phenyl]-1-oxoethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-[2-[(carbamoylamino)methyl]phenyl]acetyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 2-keto-3-[[2-[2-(ureidomethyl)phenyl]acetyl]amino]azetidine-1-sulfonic acid Formula: C13H16N4O6S MolecularWeight: 356.35434

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)O)NC(=O)CC2=CC=CC=C2CNC(=O)N

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)O)NC(=O)CC2=CC=CC=C2CNC(=O)N

InChI

InChI=1S/C13H16N4O6S/c14-13(20)15-6-9-4-2-1-3-8(9)5-11(18)16-10-7-17(12(10)19)24(21,22)23/h1-4,10H,5-7H2,(H,16,18)(H3,14,15,20)(H,21,22,23)