N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,4,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,4,6-trimethyl-benzenesulfonamide Openeye Name: N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,4,6-trimethyl-benzenesulfonamide CAS Name: N-[2-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]ethyl]-2,4,6-trimethylbenzenesulfonamide IUPAC Name: N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,4,6-trimethylbenzenesulfonamide Traditional Name: N-[2-[4-(4-fluorophenyl)piperazino]sulfonylethyl]-2,4,6-trimethyl-benzenesulfonamide Formula: C21H28FN3O4S2 MolecularWeight: 469.593123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H28FN3O4S2/c1-16-14-17(2)21(18(3)15-16)31(28,29)23-8-13-30(26,27)25-11-9-24(10-12-25)20-6-4-19(22)5-7-20/h4-7,14-15,23H,8-13H2,1-3H3