butyl 4-[2-[4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]phenoxy]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]phenoxy]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]phenoxy]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-[(2-fluorobenzyl)-mesyl-amino]phenoxy]acetyl]amino]benzoic acid butyl ester Formula: C27H29FN2O6S MolecularWeight: 528.592363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)N(CC3=CC=CC=C3F)S(=O)(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)N(CC3=CC=CC=C3F)S(=O)(=O)C

InChI

InChI=1S/C27H29FN2O6S/c1-3-4-17-35-27(32)20-9-11-22(12-10-20)29-26(31)19-36-24-15-13-23(14-16-24)30(37(2,33)34)18-21-7-5-6-8-25(21)28/h5-16H,3-4,17-19H2,1-2H3,(H,29,31)