2-[2-[(2,4-dimethoxyphenyl)-(2-nitrophenyl)sulfonyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(2,4-dimethoxyphenyl)-(2-nitrophenyl)sulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonyl-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonyl-anilino)acetyl]amino]benzoic acid Formula: C23H21N3O9S MolecularWeight: 515.49254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C23H21N3O9S/c1-34-15-11-12-18(20(13-15)35-2)25(36(32,33)21-10-6-5-9-19(21)26(30)31)14-22(27)24-17-8-4-3-7-16(17)23(28)29/h3-13H,14H2,1-2H3,(H,24,27)(H,28,29)