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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=CS2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=CS2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

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