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

Systemtic Name: phenyl 3-oxidanylidene-1-phenyl-1-(propanoylamino)butane-2-sulfonate Openeye Name: phenyl 3-oxo-1-phenyl-1-(propanoylamino)butane-2-sulfonate CAS Name: 3-oxo-1-(1-oxopropylamino)-1-phenyl-2-butanesulfonic acid IUPAC Name: phenyl 3-oxo-1-phenyl-1-(propanoylamino)butane-2-sulfonate Traditional Name: 3-keto-1-phenyl-1-propionamido-butane-2-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(=O)C)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

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

InChI

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