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

Systemtic Name: N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[3-[(4-chlorophenyl)methylthio]propyl]-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[3-[(4-chlorobenzyl)thio]propyl]-3-[(4-mesylpiperazino)methyl]benzamide Formula: C23H30ClN3O3S2 MolecularWeight: 496.0856

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=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NCCCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H30ClN3O3S2/c1-32(29,30)27-13-11-26(12-14-27)17-20-4-2-5-21(16-20)23(28)25-10-3-15-31-18-19-6-8-22(24)9-7-19/h2,4-9,16H,3,10-15,17-18H2,1H3,(H,25,28)