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

Systemtic Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]sulfonylbenzonitrile Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S2/c1-15(20-22-18-4-2-3-5-19(18)27-20)23-10-12-24(13-11-23)28(25,26)17-8-6-16(14-21)7-9-17/h2-9,15H,10-13H2,1H3