2-[2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetyl]amino]benzoic acid Formula: C23H21N3O8S MolecularWeight: 499.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O8S/c1-15-7-12-18(13-21(15)26(30)31)35(32,33)25(16-8-10-17(34-2)11-9-16)14-22(27)24-20-6-4-3-5-19(20)23(28)29/h3-13H,14H2,1-2H3,(H,24,27)(H,28,29)