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

Systemtic Name: butyl 4-[2-[4-[(4-fluorophenyl)methyl-methylsulfonyl-amino]phenoxy]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-[(4-fluorophenyl)methyl-methylsulfonyl-amino]phenoxy]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-[(4-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=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)N(CC3=CC=C(C=C3)F)S(=O)(=O)C

InChI

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