2-[4-[2-(1H-indol-3-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(1H-indol-3-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(1H-indol-3-yl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(1H-indol-3-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H20N4O3S/c22-14-16-5-1-4-8-20(16)29(27,28)25-11-9-24(10-12-25)21(26)13-17-15-23-19-7-3-2-6-18(17)19/h1-8,15,23H,9-13H2