N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4,5-trimethyl-benzenesulfonamide

Systemtic Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4,5-trimethyl-benzenesulfonamide Openeye Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4,5-trimethyl-benzenesulfonamide CAS Name: N-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]-2,4,5-trimethylbenzenesulfonamide IUPAC Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,4,5-trimethylbenzenesulfonamide Traditional Name: N-[3-[4-(2-fluorophenyl)piperazino]propyl]-2,4,5-trimethyl-benzenesulfonamide Formula: C22H30FN3O2S MolecularWeight: 419.555903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)NCCCN2CCN(CC2)C3=CC=CC=C3F)C

InChI

InChI=1S/C22H30FN3O2S/c1-17-15-19(3)22(16-18(17)2)29(27,28)24-9-6-10-25-11-13-26(14-12-25)21-8-5-4-7-20(21)23/h4-5,7-8,15-16,24H,6,9-14H2,1-3H3