phenyl 3-acetamido-1-oxidanylidene-3-phenyl-2-(phenylmethyl)propane-1-sulfonate

Systemtic Name: phenyl 3-acetamido-1-oxidanylidene-3-phenyl-2-(phenylmethyl)propane-1-sulfonate Openeye Name: phenyl 3-acetamido-2-benzyl-1-oxo-3-phenyl-propane-1-sulfonate CAS Name: 3-acetamido-1-oxo-3-phenyl-2-(phenylmethyl)-1-propanesulfonic acid IUPAC Name: phenyl 3-acetamido-2-benzyl-1-oxo-3-phenylpropane-1-sulfonate Traditional Name: 3-acetamido-2-benzyl-1-keto-3-phenyl-propane-1-sulfonic acid phenyl ester Formula: C24H23NO5S MolecularWeight: 437.50812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(C1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C24H23NO5S/c1-18(26)25-23(20-13-7-3-8-14-20)22(17-19-11-5-2-6-12-19)24(27)31(28,29)30-21-15-9-4-10-16-21/h2-16,22-23H,17H2,1H3,(H,25,26)