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

Systemtic Name: ethyl 3-methyl-4-[[4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-methyl-4-[[4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzoyl]amino]benzoate CAS Name: 3-methyl-4-[[[4-[methyl-[4-(methylthio)phenyl]sulfonylamino]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[[4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]benzoyl]amino]benzoate Traditional Name: 3-methyl-4-[[4-[methyl-[4-(methylthio)phenyl]sulfonyl-amino]benzoyl]amino]benzoic acid ethyl ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)SC)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)SC)C

InChI

InChI=1S/C25H26N2O5S2/c1-5-32-25(29)19-8-15-23(17(2)16-19)26-24(28)18-6-9-20(10-7-18)27(3)34(30,31)22-13-11-21(33-4)12-14-22/h6-16H,5H2,1-4H3,(H,26,28)