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

Systemtic Name: N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[2-[(2-chlorophenyl)methylthio]ethyl]-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[2-[(2-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=C3Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NCCSCC3=CC=CC=C3Cl

InChI

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