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

Systemtic Name: butyl 4-[[2-[(2-fluorophenyl)methyl-methylsulfonyl-amino]-4,5-dimethoxy-phenyl]carbonylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C28H31FN2O7S MolecularWeight: 558.618343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=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

CCCCOC(=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/C28H31FN2O7S/c1-5-6-15-38-28(33)19-11-13-21(14-12-19)30-27(32)22-16-25(36-2)26(37-3)17-24(22)31(39(4,34)35)18-20-9-7-8-10-23(20)29/h7-14,16-17H,5-6,15,18H2,1-4H3,(H,30,32)