phenyl 1-oxidanylidene-1,3-diphenyl-3-(propanoylamino)propane-2-sulfonate

Systemtic Name: phenyl 1-oxidanylidene-1,3-diphenyl-3-(propanoylamino)propane-2-sulfonate Openeye Name: phenyl 1-oxo-1,3-diphenyl-3-(propanoylamino)propane-2-sulfonate CAS Name: 1-oxo-3-(1-oxopropylamino)-1,3-diphenyl-2-propanesulfonic acid IUPAC Name: phenyl 1-oxo-1,3-diphenyl-3-(propanoylamino)propane-2-sulfonate Traditional Name: 1-keto-1,3-diphenyl-3-propionamido-propane-2-sulfonic acid phenyl ester Formula: C24H23NO5S MolecularWeight: 437.50812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO5S/c1-2-21(26)25-22(18-12-6-3-7-13-18)24(23(27)19-14-8-4-9-15-19)31(28,29)30-20-16-10-5-11-17-20/h3-17,22,24H,2H2,1H3,(H,25,26)