1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-ethanone

Systemtic Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-ethanone Openeye Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(p-tolylsulfonyl)ethanone CAS Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-methylphenyl)sulfonylethanone IUPAC Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone Traditional Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazino]-2-tosyl-ethanone Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S2/c1-3-17-5-4-6-19-21(17)23-22(29-19)25-13-11-24(12-14-25)20(26)15-30(27,28)18-9-7-16(2)8-10-18/h4-10H,3,11-15H2,1-2H3