[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone

Systemtic Name: [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone Openeye Name: [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone CAS Name: [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(2-methylsulfonylphenyl)methanone IUPAC Name: [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone Traditional Name: [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]-(2-mesylphenyl)methanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C21H23N3O3S2/c1-14-12-17-18(13-15(14)2)28-21(22-17)24-10-8-23(9-11-24)20(25)16-6-4-5-7-19(16)29(3,26)27/h4-7,12-13H,8-11H2,1-3H3