3-[[2-(aminomethyl)phenyl]carbonylamino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[2-(aminomethyl)phenyl]carbonylamino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-(aminomethyl)benzoyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[[2-(aminomethyl)phenyl]-oxomethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-(aminomethyl)benzoyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-(aminomethyl)benzoyl]amino]-2-keto-azetidine-1-sulfonic acid Formula: C11H13N3O5S MolecularWeight: 299.30302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)O)NC(=O)C2=CC=CC=C2CN

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)O)NC(=O)C2=CC=CC=C2CN

InChI

InChI=1S/C11H13N3O5S/c12-5-7-3-1-2-4-8(7)10(15)13-9-6-14(11(9)16)20(17,18)19/h1-4,9H,5-6,12H2,(H,13,15)(H,17,18,19)