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

Systemtic Name: phenyl 1-(2-hydroxyphenyl)-3-(3-methylbutanoylamino)-1-oxidanylidene-3-phenyl-propane-2-sulfonate Openeye Name: phenyl 1-(2-hydroxyphenyl)-3-(3-methylbutanoylamino)-1-oxo-3-phenyl-propane-2-sulfonate CAS Name: 1-(2-hydroxyphenyl)-3-[(3-methyl-1-oxobutyl)amino]-1-oxo-3-phenyl-2-propanesulfonic acid IUPAC Name: phenyl 1-(2-hydroxyphenyl)-3-(3-methylbutanoylamino)-1-oxo-3-phenylpropane-2-sulfonate Traditional Name: 1-(2-hydroxyphenyl)-3-(isovalerylamino)-1-keto-3-phenyl-propane-2-sulfonic acid phenyl ester Formula: C26H27NO6S MolecularWeight: 481.56068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO6S/c1-18(2)17-23(29)27-24(19-11-5-3-6-12-19)26(25(30)21-15-9-10-16-22(21)28)34(31,32)33-20-13-7-4-8-14-20/h3-16,18,24,26,28H,17H2,1-2H3,(H,27,29)