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

Systemtic Name: phenyl 1-(3-methylbutanoylamino)-3-oxidanylidene-1,3-diphenyl-propane-2-sulfonate Openeye Name: phenyl 1-(3-methylbutanoylamino)-3-oxo-1,3-diphenyl-propane-2-sulfonate CAS Name: 1-[(3-methyl-1-oxobutyl)amino]-3-oxo-1,3-diphenyl-2-propanesulfonic acid IUPAC Name: phenyl 1-(3-methylbutanoylamino)-3-oxo-1,3-diphenylpropane-2-sulfonate Traditional Name: 1-(isovalerylamino)-3-keto-1,3-diphenyl-propane-2-sulfonic acid phenyl ester Formula: C26H27NO5S MolecularWeight: 465.56128

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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=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO5S/c1-19(2)18-23(28)27-24(20-12-6-3-7-13-20)26(25(29)21-14-8-4-9-15-21)33(30,31)32-22-16-10-5-11-17-22/h3-17,19,24,26H,18H2,1-2H3,(H,27,28)