phenyl 3-oxidanylidene-1-phenyl-1-(2-phenylethanoylamino)hexane-2-sulfonate

Systemtic Name: phenyl 3-oxidanylidene-1-phenyl-1-(2-phenylethanoylamino)hexane-2-sulfonate Openeye Name: phenyl 3-oxo-1-phenyl-1-[(2-phenylacetyl)amino]hexane-2-sulfonate CAS Name: 3-oxo-1-[(1-oxo-2-phenylethyl)amino]-1-phenyl-2-hexanesulfonic acid IUPAC Name: phenyl 3-oxo-1-phenyl-1-[(2-phenylacetyl)amino]hexane-2-sulfonate Traditional Name: 3-keto-1-phenyl-1-[(2-phenylacetyl)amino]hexane-2-sulfonic acid phenyl ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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