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

Systemtic Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone Openeye Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-isopropylsulfonylphenyl)ethanone CAS Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-propan-2-ylsulfonylphenyl)ethanone IUPAC Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone Traditional Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazino]-2-(4-isopropylsulfonylphenyl)ethanone Formula: C24H29N3O3S2 MolecularWeight: 471.63536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C(C)C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C(C)C

InChI

InChI=1S/C24H29N3O3S2/c1-4-19-6-5-7-21-23(19)25-24(31-21)27-14-12-26(13-15-27)22(28)16-18-8-10-20(11-9-18)32(29,30)17(2)3/h5-11,17H,4,12-16H2,1-3H3