ethyl (2S)-4-methylsulfonyl-2-[(4-nitro-2-phenyl-phenyl)carbonylamino]butanoate

Systemtic Name: ethyl (2S)-4-methylsulfonyl-2-[(4-nitro-2-phenyl-phenyl)carbonylamino]butanoate Openeye Name: ethyl (2S)-4-methylsulfonyl-2-[(4-nitro-2-phenyl-benzoyl)amino]butanoate CAS Name: (2S)-4-methylsulfonyl-2-[[(4-nitro-2-phenylphenyl)-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-4-methylsulfonyl-2-[(4-nitro-2-phenylbenzoyl)amino]butanoate Traditional Name: (2S)-4-mesyl-2-[(4-nitro-2-phenyl-benzoyl)amino]butyric acid ethyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCS(=O)(=O)C)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O7S/c1-3-29-20(24)18(11-12-30(2,27)28)21-19(23)16-10-9-15(22(25)26)13-17(16)14-7-5-4-6-8-14/h4-10,13,18H,3,11-12H2,1-2H3,(H,21,23)/t18-/m0/s1