2-[(2-methoxy-5-nitro-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[2-methoxy-5-nitro-N-(p-tolylsulfonyl)anilino]acetic acid CAS Name: 2-(2-methoxy-N-(4-methylphenyl)sulfonyl-5-nitroanilino)acetic acid IUPAC Name: 2-(2-methoxy-N-(4-methylphenyl)sulfonyl-5-nitroanilino)acetic acid Traditional Name: 2-(2-methoxy-5-nitro-N-tosyl-anilino)acetic acid Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O7S/c1-11-3-6-13(7-4-11)26(23,24)17(10-16(19)20)14-9-12(18(21)22)5-8-15(14)25-2/h3-9H,10H2,1-2H3,(H,19,20)