N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[2-[(3-chlorobenzyl)thio]ethyl]-3-[(4-mesylpiperazino)methyl]benzamide Formula: C22H28ClN3O3S2 MolecularWeight: 482.05902

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NCCSCC3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NCCSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O3S2/c1-31(28,29)26-11-9-25(10-12-26)16-18-4-2-6-20(14-18)22(27)24-8-13-30-17-19-5-3-7-21(23)15-19/h2-7,14-15H,8-13,16-17H2,1H3,(H,24,27)