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

Systemtic Name: 4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-methyl-benzenesulfonamide Openeye Name: 4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-N-methyl-benzenesulfonamide CAS Name: 4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-N-methylbenzenesulfonamide IUPAC Name: 4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-N-methylbenzenesulfonamide Traditional Name: 4-[4-(4-fluorobenzyl)-1,4-diazepane-1-carbonyl]-N-methyl-benzenesulfonamide Formula: C20H24FN3O3S MolecularWeight: 405.486263

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O3S/c1-22-28(26,27)19-9-5-17(6-10-19)20(25)24-12-2-11-23(13-14-24)15-16-3-7-18(21)8-4-16/h3-10,22H,2,11-15H2,1H3