(phenylmethyl) 3-(4-nitrophenyl)sulfonyl-2-(3-phenylpropanoylamino)propanoate

Systemtic Name: (phenylmethyl) 3-(4-nitrophenyl)sulfonyl-2-(3-phenylpropanoylamino)propanoate Openeye Name: benzyl 3-(4-nitrophenyl)sulfonyl-2-(3-phenylpropanoylamino)propanoate CAS Name: 3-(4-nitrophenyl)sulfonyl-2-[(1-oxo-3-phenylpropyl)amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-nitrophenyl)sulfonyl-2-(3-phenylpropanoylamino)propanoate Traditional Name: 2-(hydrocinnamoylamino)-3-nosyl-propionic acid benzyl ester Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O7S/c28-24(16-11-19-7-3-1-4-8-19)26-23(25(29)34-17-20-9-5-2-6-10-20)18-35(32,33)22-14-12-21(13-15-22)27(30)31/h1-10,12-15,23H,11,16-18H2,(H,26,28)