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

Systemtic Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: 3-[(4-methylsulfonyl-1-piperazinyl)methyl]-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[2-(benzylthio)ethyl]-3-[(4-mesylpiperazino)methyl]benzamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S2/c1-30(27,28)25-13-11-24(12-14-25)17-20-8-5-9-21(16-20)22(26)23-10-15-29-18-19-6-3-2-4-7-19/h2-9,16H,10-15,17-18H2,1H3,(H,23,26)