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

Systemtic Name: butyl 4-[[4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzoyl]amino]benzoate CAS Name: 4-[[[4-[ethyl-[4-(methylthio)phenyl]sulfonylamino]phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzoyl]amino]benzoate Traditional Name: 4-[[4-[ethyl-[4-(methylthio)phenyl]sulfonyl-amino]benzoyl]amino]benzoic acid butyl ester Formula: C27H30N2O5S2 MolecularWeight: 526.6675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O5S2/c1-4-6-19-34-27(31)21-7-11-22(12-8-21)28-26(30)20-9-13-23(14-10-20)29(5-2)36(32,33)25-17-15-24(35-3)16-18-25/h7-18H,4-6,19H2,1-3H3,(H,28,30)