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

Systemtic Name: phenyl 3-oxidanylidene-1-phenyl-1-(propanoylamino)hexane-2-sulfonate Openeye Name: phenyl 3-oxo-1-phenyl-1-(propanoylamino)hexane-2-sulfonate CAS Name: 3-oxo-1-(1-oxopropylamino)-1-phenyl-2-hexanesulfonic acid IUPAC Name: phenyl 3-oxo-1-phenyl-1-(propanoylamino)hexane-2-sulfonate Traditional Name: 3-keto-1-phenyl-1-propionamido-hexane-2-sulfonic acid phenyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C(C1=CC=CC=C1)NC(=O)CC)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)C(C(C1=CC=CC=C1)NC(=O)CC)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C21H25NO5S/c1-3-11-18(23)21(28(25,26)27-17-14-9-6-10-15-17)20(22-19(24)4-2)16-12-7-5-8-13-16/h5-10,12-15,20-21H,3-4,11H2,1-2H3,(H,22,24)