3-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]methyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[4-(3-fluoro-4-methoxy-benzyl)piperazino]methyl]-N,N-dimethyl-benzenesulfonamide Formula: C21H28FN3O3S MolecularWeight: 421.528723

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CN2CCN(CC2)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CN2CCN(CC2)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H28FN3O3S/c1-23(2)29(26,27)19-6-4-5-17(13-19)15-24-9-11-25(12-10-24)16-18-7-8-21(28-3)20(22)14-18/h4-8,13-14H,9-12,15-16H2,1-3H3