1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethyl)sulfonyl-ethanone

Systemtic Name: 1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethyl)sulfonyl-ethanone Openeye Name: 2-benzylsulfonyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(phenylmethyl)sulfonylethanone IUPAC Name: 2-benzylsulfonyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-benzylsulfonyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S2/c1-16-6-5-9-18-20(16)22-21(28-18)24-12-10-23(11-13-24)19(25)15-29(26,27)14-17-7-3-2-4-8-17/h2-9H,10-15H2,1H3