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

Systemtic Name: methyl (2S)-4-methylsulfonyl-2-[(4-nitro-2-phenyl-phenyl)carbonylamino]butanoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (2S)-4-methylsulfonyl-2-[(4-nitro-2-phenylbenzoyl)amino]butanoate Traditional Name: (2S)-4-mesyl-2-[(4-nitro-2-phenyl-benzoyl)amino]butyric acid methyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C19H20N2O7S/c1-28-19(23)17(10-11-29(2,26)27)20-18(22)15-9-8-14(21(24)25)12-16(15)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3,(H,20,22)/t17-/m0/s1