3-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 2-oxo-3-(p-tolylsulfonylamino)azetidine-1-sulfonic acid CAS Name: 3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 2-keto-3-(tosylamino)azetidine-1-sulfonic acid Formula: C10H12N2O6S2 MolecularWeight: 320.34208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CN(C2=O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2CN(C2=O)S(=O)(=O)O

InChI

InChI=1S/C10H12N2O6S2/c1-7-2-4-8(5-3-7)19(14,15)11-9-6-12(10(9)13)20(16,17)18/h2-5,9,11H,6H2,1H3,(H,16,17,18)