ethyl 4-[[2-[(2-fluorophenyl)methyl-methylsulfonyl-amino]-4,5-dimethoxy-phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-[(2-fluorophenyl)methyl-methylsulfonyl-amino]-4,5-dimethoxy-phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-[(2-fluorophenyl)methyl-methylsulfonyl-amino]-4,5-dimethoxy-benzoyl]amino]benzoate CAS Name: 4-[[[2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxyphenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoate Traditional Name: 4-[[2-[(2-fluorobenzyl)-mesyl-amino]-4,5-dimethoxy-benzoyl]amino]benzoic acid ethyl ester Formula: C26H27FN2O7S MolecularWeight: 530.565183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2N(CC3=CC=CC=C3F)S(=O)(=O)C)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2N(CC3=CC=CC=C3F)S(=O)(=O)C)OC)OC

InChI

InChI=1S/C26H27FN2O7S/c1-5-36-26(31)17-10-12-19(13-11-17)28-25(30)20-14-23(34-2)24(35-3)15-22(20)29(37(4,32)33)16-18-8-6-7-9-21(18)27/h6-15H,5,16H2,1-4H3,(H,28,30)