N,N-diethyl-3-[[3-(3-fluoranyl-4-methoxy-phenyl)propanoylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[[3-(3-fluoranyl-4-methoxy-phenyl)propanoylamino]carbamoyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[[3-(3-fluoro-4-methoxy-phenyl)propanoylamino]carbamoyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[[[3-(3-fluoro-4-methoxyphenyl)-1-oxopropyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]carbamoyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[[3-(3-fluoro-4-methoxy-phenyl)propanoylamino]carbamoyl]benzenesulfonamide Formula: C21H26FN3O5S MolecularWeight: 451.511643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CCC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CCC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C21H26FN3O5S/c1-4-25(5-2)31(28,29)17-8-6-7-16(14-17)21(27)24-23-20(26)12-10-15-9-11-19(30-3)18(22)13-15/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,23,26)(H,24,27)