1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylsulfonyl)ethanone

Systemtic Name: 1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylsulfonyl)ethanone Openeye Name: 2-(benzenesulfonyl)-1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(benzenesulfonyl)-1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(benzenesulfonyl)-1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-besyl-1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)CS(=O)(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)CS(=O)(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H23N3O5S2/c1-28-16-8-9-17-19(20(16)29-2)22-21(30-17)24-12-10-23(11-13-24)18(25)14-31(26,27)15-6-4-3-5-7-15/h3-9H,10-14H2,1-2H3