(4-phenylphenyl)methyl 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate

Systemtic Name: (4-phenylphenyl)methyl 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate Openeye Name: (4-phenylphenyl)methyl 2-(4-methylsulfonyl-2-nitro-anilino)acetate CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)acetic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl 2-(4-methylsulfonyl-2-nitroanilino)acetate Traditional Name: 2-(4-mesyl-2-nitro-anilino)acetic acid (4-phenylbenzyl) ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6S/c1-31(28,29)19-11-12-20(21(13-19)24(26)27)23-14-22(25)30-15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-13,23H,14-15H2,1H3