1-[4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone

Systemtic Name: 1-[4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone Openeye Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone CAS Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-methylsulfonylphenyl)ethanone IUPAC Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone Traditional Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazino]-2-(4-mesylphenyl)ethanone Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H22ClN3O4S2/c1-29-17-8-7-16(22)20-19(17)23-21(30-20)25-11-9-24(10-12-25)18(26)13-14-3-5-15(6-4-14)31(2,27)28/h3-8H,9-13H2,1-2H3