phenyl 2-methyl-1-oxidanylidene-3-phenyl-3-(propanoylamino)propane-1-sulfonate

Systemtic Name: phenyl 2-methyl-1-oxidanylidene-3-phenyl-3-(propanoylamino)propane-1-sulfonate Openeye Name: phenyl 2-methyl-1-oxo-3-phenyl-3-(propanoylamino)propane-1-sulfonate CAS Name: 2-methyl-1-oxo-3-(1-oxopropylamino)-3-phenyl-1-propanesulfonic acid IUPAC Name: phenyl 2-methyl-1-oxo-3-phenyl-3-(propanoylamino)propane-1-sulfonate Traditional Name: 1-keto-2-methyl-3-phenyl-3-propionamido-propane-1-sulfonic acid phenyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5S/c1-3-17(21)20-18(15-10-6-4-7-11-15)14(2)19(22)26(23,24)25-16-12-8-5-9-13-16/h4-14,18H,3H2,1-2H3,(H,20,21)