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

Systemtic Name: 2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-indan-5-ylacetyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(2,3-dihydro-1H-inden-5-yl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-indan-5-ylacetyl)piperazino]sulfonylbenzonitrile Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c23-16-20-4-1-2-7-21(20)29(27,28)25-12-10-24(11-13-25)22(26)15-17-8-9-18-5-3-6-19(18)14-17/h1-2,4,7-9,14H,3,5-6,10-13,15H2