ethyl 2-chloranyl-5-[2-[(4-fluorophenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-5-[2-[(4-fluorophenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 2-chloro-5-[[2-(4-fluoro-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-(4-fluoro-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-(4-fluoro-N-mesyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C18H18ClFN2O5S MolecularWeight: 428.862323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H18ClFN2O5S/c1-3-27-18(24)15-10-13(6-9-16(15)19)21-17(23)11-22(28(2,25)26)14-7-4-12(20)5-8-14/h4-10H,3,11H2,1-2H3,(H,21,23)