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

Systemtic Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-phenylsulfanylethyl)benzamide Openeye Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-phenylsulfanylethyl)benzamide CAS Name: 3-[(4-methylsulfonyl-1-piperazinyl)methyl]-N-[2-(phenylthio)ethyl]benzamide IUPAC Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-phenylsulfanylethyl)benzamide Traditional Name: 3-[(4-mesylpiperazino)methyl]-N-[2-(phenylthio)ethyl]benzamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S2/c1-29(26,27)24-13-11-23(12-14-24)17-18-6-5-7-19(16-18)21(25)22-10-15-28-20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3,(H,22,25)