2-[4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-indan-5-ylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(indan-5-ylthio)acetyl]piperazino]sulfonylbenzonitrile Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H23N3O3S2/c23-15-19-4-1-2-7-21(19)30(27,28)25-12-10-24(11-13-25)22(26)16-29-20-9-8-17-5-3-6-18(17)14-20/h1-2,4,7-9,14H,3,5-6,10-13,16H2