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

Systemtic Name: phenyl 3-(butanoylamino)-1-oxidanylidene-3-phenyl-2-(phenylmethyl)propane-1-sulfonate Openeye Name: phenyl 2-benzyl-3-(butanoylamino)-1-oxo-3-phenyl-propane-1-sulfonate CAS Name: 1-oxo-3-(1-oxobutylamino)-3-phenyl-2-(phenylmethyl)-1-propanesulfonic acid IUPAC Name: phenyl 2-benzyl-3-(butanoylamino)-1-oxo-3-phenylpropane-1-sulfonate Traditional Name: 2-benzyl-3-butyramido-1-keto-3-phenyl-propane-1-sulfonic acid phenyl ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC(C1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)S(=O)(=O)OC3=CC=CC=C3

InChI

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