methyl (2S)-2-[methyl-(4-nitrophenyl)sulfonyl-amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[methyl-(4-nitrophenyl)sulfonyl-amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[methyl-(4-nitrophenyl)sulfonyl-amino]-3-phenyl-propanoate CAS Name: (2S)-2-[methyl-(4-nitrophenyl)sulfonylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[methyl-(4-nitrophenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[methyl(nosyl)amino]-3-phenyl-propionic acid methyl ester Formula: C17H18N2O6S MolecularWeight: 378.39962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN([C@@H](CC1=CC=CC=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-18(16(17(20)25-2)12-13-6-4-3-5-7-13)26(23,24)15-10-8-14(9-11-15)19(21)22/h3-11,16H,12H2,1-2H3/t16-/m0/s1