phenyl 3-oxidanylidene-1,4-diphenyl-1-(propanoylamino)butane-2-sulfonate

Systemtic Name: phenyl 3-oxidanylidene-1,4-diphenyl-1-(propanoylamino)butane-2-sulfonate Openeye Name: phenyl 3-oxo-1,4-diphenyl-1-(propanoylamino)butane-2-sulfonate CAS Name: 3-oxo-1-(1-oxopropylamino)-1,4-diphenyl-2-butanesulfonic acid IUPAC Name: phenyl 3-oxo-1,4-diphenyl-1-(propanoylamino)butane-2-sulfonate Traditional Name: 3-keto-1,4-diphenyl-1-propionamido-butane-2-sulfonic acid phenyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO5S/c1-2-23(28)26-24(20-14-8-4-9-15-20)25(22(27)18-19-12-6-3-7-13-19)32(29,30)31-21-16-10-5-11-17-21/h3-17,24-25H,2,18H2,1H3,(H,26,28)