(4-nitrophenyl)methyl 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-(2-methyl-N-methylsulfonyl-anilino)acetate CAS Name: 2-(2-methyl-N-methylsulfonylanilino)acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate Traditional Name: 2-(N-mesyl-2-methyl-anilino)acetic acid (4-nitrobenzyl) ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

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