N,N-diethyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide CAS Name: N,N-diethyl-4-[[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(2-fluorobenzyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C22H28FN3O3S MolecularWeight: 433.539423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C22H28FN3O3S/c1-3-26(4-2)30(28,29)20-11-9-18(10-12-20)22(27)25-15-13-24(14-16-25)17-19-7-5-6-8-21(19)23/h5-12H,3-4,13-17H2,1-2H3