phenyl 3-acetamido-2-methyl-1-oxidanylidene-3-phenyl-propane-1-sulfonate

Systemtic Name: phenyl 3-acetamido-2-methyl-1-oxidanylidene-3-phenyl-propane-1-sulfonate Openeye Name: phenyl 3-acetamido-2-methyl-1-oxo-3-phenyl-propane-1-sulfonate CAS Name: 3-acetamido-2-methyl-1-oxo-3-phenyl-1-propanesulfonic acid IUPAC Name: phenyl 3-acetamido-2-methyl-1-oxo-3-phenylpropane-1-sulfonate Traditional Name: 3-acetamido-1-keto-2-methyl-3-phenyl-propane-1-sulfonic acid phenyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)NC(=O)C)C(=O)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C(C1=CC=CC=C1)NC(=O)C)C(=O)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C18H19NO5S/c1-13(17(19-14(2)20)15-9-5-3-6-10-15)18(21)25(22,23)24-16-11-7-4-8-12-16/h3-13,17H,1-2H3,(H,19,20)