2-(2-methylphenyl)-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(2-methylphenyl)-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-1,3-thiazole Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(o-tolyl)thiazole CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-2-(2-methylphenyl)thiazole IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole Traditional Name: 4-[(4-besylpiperazino)methyl]-2-(o-tolyl)thiazole Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=CS2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=CS2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S2/c1-17-7-5-6-10-20(17)21-22-18(16-27-21)15-23-11-13-24(14-12-23)28(25,26)19-8-3-2-4-9-19/h2-10,16H,11-15H2,1H3