1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone

Systemtic Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone Openeye Name: 2-(4-isopropylsulfonylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-propan-2-ylsulfonylphenyl)ethanone IUPAC Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone Traditional Name: 2-(4-isopropylsulfonylphenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C(C)C

InChI

InChI=1S/C23H27N3O3S2/c1-16(2)31(28,29)19-7-5-18(6-8-19)15-22(27)25-10-12-26(13-11-25)23-24-20-9-4-17(3)14-21(20)30-23/h4-9,14,16H,10-13,15H2,1-3H3