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

Systemtic Name: phenyl 3-(butanoylamino)-1-oxidanylidene-2,3-diphenyl-propane-1-sulfonate Openeye Name: phenyl 3-(butanoylamino)-1-oxo-2,3-diphenyl-propane-1-sulfonate CAS Name: 1-oxo-3-(1-oxobutylamino)-2,3-diphenyl-1-propanesulfonic acid IUPAC Name: phenyl 3-(butanoylamino)-1-oxo-2,3-diphenylpropane-1-sulfonate Traditional Name: 3-butyramido-1-keto-2,3-diphenyl-propane-1-sulfonic acid phenyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO5S/c1-2-12-22(27)26-24(20-15-8-4-9-16-20)23(19-13-6-3-7-14-19)25(28)32(29,30)31-21-17-10-5-11-18-21/h3-11,13-18,23-24H,2,12H2,1H3,(H,26,27)