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

Systemtic Name: 1-[3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]sulfonylphenyl]ethanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-15(21-22-19-8-3-4-9-20(19)28-21)23-10-12-24(13-11-23)29(26,27)18-7-5-6-17(14-18)16(2)25/h3-9,14-15H,10-13H2,1-2H3