2-methyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidine-1-sulfonic acid

Systemtic Name: 2-methyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidine-1-sulfonic acid Openeye Name: 2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-sulfonic acid CAS Name: 2-methyl-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinesulfonic acid IUPAC Name: 2-methyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-sulfonic acid Traditional Name: 2-keto-4-methyl-3-[(2-phenylacetyl)amino]azetidine-1-sulfonic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H14N2O5S/c1-8-11(12(16)14(8)20(17,18)19)13-10(15)7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,13,15)(H,17,18,19)