[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] 2-(4-methylsulfonyl-2-nitro-anilino)acetate CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)acetic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-(4-methylsulfonyl-2-nitroanilino)acetate Traditional Name: 2-(4-mesyl-2-nitro-anilino)acetic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)COC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

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