[3-azanyl-4-(ethanoylcarbamoylamino)phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-azanyl-4-(ethanoylcarbamoylamino)phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-(acetylcarbamoylamino)-3-amino-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[acetamido(oxo)methyl]amino]-3-aminophenyl] ester IUPAC Name: [4-(acetylcarbamoylamino)-3-aminophenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-(acetylcarbamoylamino)-3-amino-phenyl] ester Formula: C16H14F3N3O5S MolecularWeight: 417.35967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)N

Isomeric SMILES

CC(=O)NC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)N

InChI

InChI=1S/C16H14F3N3O5S/c1-9(23)21-15(24)22-14-6-5-11(8-13(14)20)27-28(25,26)12-4-2-3-10(7-12)16(17,18)19/h2-8H,20H2,1H3,(H2,21,22,23,24)