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

Systemtic Name: phenyl 1-oxidanylidene-3-phenyl-2-(phenylsulfonyl)-3-(propanoylamino)propane-1-sulfonate Openeye Name: phenyl 2-(benzenesulfonyl)-1-oxo-3-phenyl-3-(propanoylamino)propane-1-sulfonate CAS Name: 2-(benzenesulfonyl)-1-oxo-3-(1-oxopropylamino)-3-phenyl-1-propanesulfonic acid IUPAC Name: phenyl 2-(benzenesulfonyl)-1-oxo-3-phenyl-3-(propanoylamino)propane-1-sulfonate Traditional Name: 2-besyl-1-keto-3-phenyl-3-propionamido-propane-1-sulfonic acid phenyl ester Formula: C24H23NO7S2 MolecularWeight: 501.57192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C1=CC=CC=C1)C(C(=O)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC(C1=CC=CC=C1)C(C(=O)S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H23NO7S2/c1-2-21(26)25-22(18-12-6-3-7-13-18)23(33(28,29)20-16-10-5-11-17-20)24(27)34(30,31)32-19-14-8-4-9-15-19/h3-17,22-23H,2H2,1H3,(H,25,26)