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

Systemtic Name: phenyl 1-acetamido-3-(2-hydroxyphenyl)-3-oxidanylidene-1-phenyl-propane-2-sulfonate Openeye Name: phenyl 1-acetamido-3-(2-hydroxyphenyl)-3-oxo-1-phenyl-propane-2-sulfonate CAS Name: 1-acetamido-3-(2-hydroxyphenyl)-3-oxo-1-phenyl-2-propanesulfonic acid IUPAC Name: phenyl 1-acetamido-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropane-2-sulfonate Traditional Name: 1-acetamido-3-(2-hydroxyphenyl)-3-keto-1-phenyl-propane-2-sulfonic acid phenyl ester Formula: C23H21NO6S MolecularWeight: 439.48094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1=CC=CC=C1)C(C(=O)C2=CC=CC=C2O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(C1=CC=CC=C1)C(C(=O)C2=CC=CC=C2O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H21NO6S/c1-16(25)24-21(17-10-4-2-5-11-17)23(22(27)19-14-8-9-15-20(19)26)31(28,29)30-18-12-6-3-7-13-18/h2-15,21,23,26H,1H3,(H,24,25)