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

Systemtic Name: phenyl 1-(butanoylamino)-3-(2-hydroxyphenyl)-3-oxidanylidene-1-phenyl-propane-2-sulfonate Openeye Name: phenyl 1-(butanoylamino)-3-(2-hydroxyphenyl)-3-oxo-1-phenyl-propane-2-sulfonate CAS Name: 1-(2-hydroxyphenyl)-1-oxo-3-(1-oxobutylamino)-3-phenyl-2-propanesulfonic acid IUPAC Name: phenyl 1-(butanoylamino)-3-(2-hydroxyphenyl)-3-oxo-1-phenylpropane-2-sulfonate Traditional Name: 1-butyramido-3-(2-hydroxyphenyl)-3-keto-1-phenyl-propane-2-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(C(=O)C2=CC=CC=C2O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

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