N,N-diethyl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[4-(2-fluorobenzyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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