2-[2,1,3-benzoxadiazol-4-ylsulfonyl-(4-methylphenyl)amino]ethanoate

Systemtic Name: 2-[2,1,3-benzoxadiazol-4-ylsulfonyl-(4-methylphenyl)amino]ethanoate Openeye Name: 2-[N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-4-methyl-anilino]acetate CAS Name: 2-[N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-4-methylanilino]acetate IUPAC Name: 2-[N-(2,1,3-benzoxadiazol-4-ylsulfonyl)-4-methylanilino]acetate Traditional Name: 2-(N-benzofurazan-4-ylsulfonyl-4-methyl-anilino)acetate Formula: C15H12N3O5S- MolecularWeight: 346.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)[O-])S(=O)(=O)C2=CC=CC3=NON=C32

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)[O-])S(=O)(=O)C2=CC=CC3=NON=C32

InChI

InChI=1S/C15H13N3O5S/c1-10-5-7-11(8-6-10)18(9-14(19)20)24(21,22)13-4-2-3-12-15(13)17-23-16-12/h2-8H,9H2,1H3,(H,19,20)/p-1