dimethyl 2-[[4-[(4-fluorophenyl)methyl-methylsulfonyl-amino]phenyl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[4-[(4-fluorophenyl)methyl-methylsulfonyl-amino]phenyl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[4-[(4-fluorophenyl)methyl-methylsulfonyl-amino]benzoyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzoyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[4-[(4-fluorobenzyl)-mesyl-amino]benzoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C25H23FN2O7S MolecularWeight: 514.522723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)F)S(=O)(=O)C

InChI

InChI=1S/C25H23FN2O7S/c1-34-24(30)18-8-13-21(25(31)35-2)22(14-18)27-23(29)17-6-11-20(12-7-17)28(36(3,32)33)15-16-4-9-19(26)10-5-16/h4-14H,15H2,1-3H3,(H,27,29)