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

Systemtic Name: phenyl 1-(2-hydroxyphenyl)-1-oxidanylidene-3-phenyl-3-(propanoylamino)propane-2-sulfonate Openeye Name: phenyl 1-(2-hydroxyphenyl)-1-oxo-3-phenyl-3-(propanoylamino)propane-2-sulfonate CAS Name: 1-(2-hydroxyphenyl)-1-oxo-3-(1-oxopropylamino)-3-phenyl-2-propanesulfonic acid IUPAC Name: phenyl 1-(2-hydroxyphenyl)-1-oxo-3-phenyl-3-(propanoylamino)propane-2-sulfonate Traditional Name: 1-(2-hydroxyphenyl)-1-keto-3-phenyl-3-propionamido-propane-2-sulfonic acid phenyl ester Formula: C24H23NO6S MolecularWeight: 453.50752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO6S/c1-2-21(27)25-22(17-11-5-3-6-12-17)24(23(28)19-15-9-10-16-20(19)26)32(29,30)31-18-13-7-4-8-14-18/h3-16,22,24,26H,2H2,1H3,(H,25,27)