2-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole

Systemtic Name: 2-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole Openeye Name: 2-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole CAS Name: 2-[1-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]ethyl]-1,3-benzothiazole IUPAC Name: 2-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole Traditional Name: 2-[1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]ethyl]-1,3-benzothiazole Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H25N3O4S2/c1-15(21-22-17-6-4-5-7-20(17)29-21)23-10-12-24(13-11-23)30(25,26)16-8-9-18(27-2)19(14-16)28-3/h4-9,14-15H,10-13H2,1-3H3