3-[4-(2-chloranyl-5-fluoranyl-phenyl)carbonylpiperazin-1-yl]-N,N-diethyl-4-methoxy-benzenesulfonamide

Systemtic Name: 3-[4-(2-chloranyl-5-fluoranyl-phenyl)carbonylpiperazin-1-yl]-N,N-diethyl-4-methoxy-benzenesulfonamide Openeye Name: 3-[4-(2-chloro-5-fluoro-benzoyl)piperazin-1-yl]-N,N-diethyl-4-methoxy-benzenesulfonamide CAS Name: 3-[4-[(2-chloro-5-fluorophenyl)-oxomethyl]-1-piperazinyl]-N,N-diethyl-4-methoxybenzenesulfonamide IUPAC Name: 3-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-N,N-diethyl-4-methoxybenzenesulfonamide Traditional Name: 3-[4-(2-chloro-5-fluoro-benzoyl)piperazino]-N,N-diethyl-4-methoxy-benzenesulfonamide Formula: C22H27ClFN3O4S MolecularWeight: 483.983883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClFN3O4S/c1-4-27(5-2)32(29,30)17-7-9-21(31-3)20(15-17)25-10-12-26(13-11-25)22(28)18-14-16(24)6-8-19(18)23/h6-9,14-15H,4-5,10-13H2,1-3H3