N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[3-[(2-fluorophenyl)methylthio]propyl]-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[3-[(2-fluorobenzyl)thio]propyl]-3-[(4-mesylpiperazino)methyl]benzamide Formula: C23H30FN3O3S2 MolecularWeight: 479.631003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NCCCSCC3=CC=CC=C3F

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NCCCSCC3=CC=CC=C3F

InChI

InChI=1S/C23H30FN3O3S2/c1-32(29,30)27-13-11-26(12-14-27)17-19-6-4-8-20(16-19)23(28)25-10-5-15-31-18-21-7-2-3-9-22(21)24/h2-4,6-9,16H,5,10-15,17-18H2,1H3,(H,25,28)