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

Systemtic Name: 1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone Openeye Name: 1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone CAS Name: 1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(2,4,6-trimethylphenyl)ethanone IUPAC Name: 1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone Traditional Name: 2-mesityl-1-[4-(4-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=CC=C4S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C)C

InChI

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