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

Systemtic Name: 1-[4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[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=C(C=C4)C(=O)C

Isomeric SMILES

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

InChI

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