2-[4-[2-(2,3-dihydroindol-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(2,3-dihydroindol-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-indolin-1-ylacetyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(2,3-dihydroindol-1-yl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2,3-dihydroindol-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-indolin-1-ylacetyl)piperazino]sulfonylbenzonitrile Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(C2=CC=CC=C21)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H22N4O3S/c22-15-18-6-2-4-8-20(18)29(27,28)25-13-11-23(12-14-25)21(26)16-24-10-9-17-5-1-3-7-19(17)24/h1-8H,9-14,16H2