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

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

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

Isomeric SMILES

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

InChI

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