3-[[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3S/c1-23(2)29(27,28)20-6-3-5-17(15-20)16-24-11-4-12-25(14-13-24)21(26)18-7-9-19(22)10-8-18/h3,5-10,15H,4,11-14,16H2,1-2H3