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

Systemtic Name: phenyl 3-oxidanylidene-1-phenyl-1-(propanoylamino)pentane-2-sulfonate Openeye Name: phenyl 3-oxo-1-phenyl-1-(propanoylamino)pentane-2-sulfonate CAS Name: 3-oxo-1-(1-oxopropylamino)-1-phenyl-2-pentanesulfonic acid IUPAC Name: phenyl 3-oxo-1-phenyl-1-(propanoylamino)pentane-2-sulfonate Traditional Name: 3-keto-1-phenyl-1-propionamido-pentane-2-sulfonic acid phenyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-3-17(22)20(27(24,25)26-16-13-9-6-10-14-16)19(21-18(23)4-2)15-11-7-5-8-12-15/h5-14,19-20H,3-4H2,1-2H3,(H,21,23)