3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-N,N-diethyl-4-fluoranyl-benzenesulfonamide

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-N,N-diethyl-4-fluoranyl-benzenesulfonamide Openeye Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-diethyl-4-fluoro-benzenesulfonamide CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-N,N-diethyl-4-fluorobenzenesulfonamide IUPAC Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-diethyl-4-fluorobenzenesulfonamide Traditional Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N-diethyl-4-fluoro-benzenesulfonamide Formula: C21H25ClFN3O3S MolecularWeight: 453.957903

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClFN3O3S/c1-3-26(4-2)30(28,29)18-8-9-20(23)19(15-18)21(27)25-12-10-24(11-13-25)17-7-5-6-16(22)14-17/h5-9,14-15H,3-4,10-13H2,1-2H3