1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone

Systemtic Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone Openeye Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone CAS Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(2,4,6-trimethylphenyl)ethanone IUPAC Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone Traditional Name: 2-mesityl-1-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C23H27N3O3S2/c1-15-11-16(2)19(17(3)12-15)14-22(27)25-7-9-26(10-8-25)23-24-20-6-5-18(31(4,28)29)13-21(20)30-23/h5-6,11-13H,7-10,14H2,1-4H3