N-[2-(4-methylphenyl)sulfanylethyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(p-tolylsulfanyl)ethyl]benzamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-4-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: 4-[(4-mesylpiperazino)methyl]-N-[2-(p-tolylthio)ethyl]benzamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O3S2/c1-18-3-9-21(10-4-18)29-16-11-23-22(26)20-7-5-19(6-8-20)17-24-12-14-25(15-13-24)30(2,27)28/h3-10H,11-17H2,1-2H3,(H,23,26)