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

Systemtic Name: 3-[4-[2,5-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]-N,N-diethyl-4-methoxy-benzenesulfonamide Openeye Name: 3-[4-(2,5-difluorobenzoyl)piperazin-1-yl]-N,N-diethyl-4-methoxy-benzenesulfonamide CAS Name: 3-[4-[(2,5-difluorophenyl)-oxomethyl]-1-piperazinyl]-N,N-diethyl-4-methoxybenzenesulfonamide IUPAC Name: 3-[4-(2,5-difluorobenzoyl)piperazin-1-yl]-N,N-diethyl-4-methoxybenzenesulfonamide Traditional Name: 3-[4-(2,5-difluorobenzoyl)piperazino]-N,N-diethyl-4-methoxy-benzenesulfonamide Formula: C22H27F2N3O4S MolecularWeight: 467.529286

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C22H27F2N3O4S/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(23)6-8-19(18)24/h6-9,14-15H,4-5,10-13H2,1-3H3