ethyl 3-chloranyl-4-[[4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[[4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzoyl]amino]benzoate CAS Name: 3-chloro-4-[[[4-[ethyl-[4-(methylthio)phenyl]sulfonylamino]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzoyl]amino]benzoate Traditional Name: 3-chloro-4-[[4-[ethyl-[4-(methylthio)phenyl]sulfonyl-amino]benzoyl]amino]benzoic acid ethyl ester Formula: C25H25ClN2O5S2 MolecularWeight: 533.0594

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)OCC)Cl)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)OCC)Cl)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C25H25ClN2O5S2/c1-4-28(35(31,32)21-13-11-20(34-3)12-14-21)19-9-6-17(7-10-19)24(29)27-23-15-8-18(16-22(23)26)25(30)33-5-2/h6-16H,4-5H2,1-3H3,(H,27,29)