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

Systemtic Name: 2,2-dimethyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidine-1-sulfonic acid Openeye Name: 2,2-dimethyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-sulfonic acid CAS Name: 2,2-dimethyl-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinesulfonic acid IUPAC Name: 2,2-dimethyl-4-oxo-3-[(2-phenylacetyl)amino]azetidine-1-sulfonic acid Traditional Name: 4-keto-2,2-dimethyl-3-[(2-phenylacetyl)amino]azetidine-1-sulfonic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)N1S(=O)(=O)O)NC(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CC1(C(C(=O)N1S(=O)(=O)O)NC(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C13H16N2O5S/c1-13(2)11(12(17)15(13)21(18,19)20)14-10(16)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3,(H,14,16)(H,18,19,20)