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

Systemtic Name: phenyl 3-(butanoylamino)-2-(2-hydroxyphenyl)-1-oxidanylidene-3-phenyl-propane-1-sulfonate Openeye Name: phenyl 3-(butanoylamino)-2-(2-hydroxyphenyl)-1-oxo-3-phenyl-propane-1-sulfonate CAS Name: 2-(2-hydroxyphenyl)-1-oxo-3-(1-oxobutylamino)-3-phenyl-1-propanesulfonic acid IUPAC Name: phenyl 3-(butanoylamino)-2-(2-hydroxyphenyl)-1-oxo-3-phenylpropane-1-sulfonate Traditional Name: 3-butyramido-2-(2-hydroxyphenyl)-1-keto-3-phenyl-propane-1-sulfonic acid phenyl ester Formula: C25H25NO6S MolecularWeight: 467.5341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO6S/c1-2-11-22(28)26-24(18-12-5-3-6-13-18)23(20-16-9-10-17-21(20)27)25(29)33(30,31)32-19-14-7-4-8-15-19/h3-10,12-17,23-24,27H,2,11H2,1H3,(H,26,28)