N,N-diethyl-3-[[2-(2-fluoranylphenoxy)propanoylamino]carbamoyl]-4-methyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[[2-(2-fluoranylphenoxy)propanoylamino]carbamoyl]-4-methyl-benzenesulfonamide Openeye Name: N,N-diethyl-3-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-benzenesulfonamide CAS Name: N,N-diethyl-3-[[[2-(2-fluorophenoxy)-1-oxopropyl]hydrazo]-oxomethyl]-4-methylbenzenesulfonamide IUPAC Name: N,N-diethyl-3-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-4-methylbenzenesulfonamide Traditional Name: N,N-diethyl-3-[[2-(2-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-benzenesulfonamide Formula: C21H26FN3O5S MolecularWeight: 451.511643

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)NNC(=O)C(C)OC2=CC=CC=C2F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)NNC(=O)C(C)OC2=CC=CC=C2F

InChI

InChI=1S/C21H26FN3O5S/c1-5-25(6-2)31(28,29)16-12-11-14(3)17(13-16)21(27)24-23-20(26)15(4)30-19-10-8-7-9-18(19)22/h7-13,15H,5-6H2,1-4H3,(H,23,26)(H,24,27)