2-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]ethanoate

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]ethanoate Openeye Name: 2-[3-nitro-N-(p-tolylsulfonyl)anilino]acetate CAS Name: 2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)acetate IUPAC Name: 2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)acetate Traditional Name: 2-(3-nitro-N-tosyl-anilino)acetate Formula: C15H13N2O6S- MolecularWeight: 349.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O6S/c1-11-5-7-14(8-6-11)24(22,23)16(10-15(18)19)12-3-2-4-13(9-12)17(20)21/h2-9H,10H2,1H3,(H,18,19)/p-1