ethyl 4-[2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C25H25N3O8S MolecularWeight: 527.5463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O8S/c1-4-36-25(30)18-6-8-19(9-7-18)26-24(29)16-27(20-10-12-21(35-3)13-11-20)37(33,34)22-14-5-17(2)23(15-22)28(31)32/h5-15H,4,16H2,1-3H3,(H,26,29)