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

Systemtic Name: phenyl 1-acetamido-3-oxidanylidene-1-phenyl-3-(phenylsulfonyl)propane-2-sulfonate Openeye Name: phenyl 1-acetamido-3-(benzenesulfonyl)-3-oxo-1-phenyl-propane-2-sulfonate CAS Name: 1-acetamido-3-(benzenesulfonyl)-3-oxo-1-phenyl-2-propanesulfonic acid IUPAC Name: phenyl 1-acetamido-3-(benzenesulfonyl)-3-oxo-1-phenylpropane-2-sulfonate Traditional Name: 1-acetamido-3-besyl-3-keto-1-phenyl-propane-2-sulfonic acid phenyl ester Formula: C23H21NO7S2 MolecularWeight: 487.54534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO7S2/c1-17(25)24-21(18-11-5-2-6-12-18)22(33(29,30)31-19-13-7-3-8-14-19)23(26)32(27,28)20-15-9-4-10-16-20/h2-16,21-22H,1H3,(H,24,25)