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

Systemtic Name: 2-[4-(2,3-dihydro-1H-inden-5-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(indane-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2,3-dihydro-1H-inden-5-yl(oxo)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(indane-5-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c22-15-19-4-1-2-7-20(19)28(26,27)24-12-10-23(11-13-24)21(25)18-9-8-16-5-3-6-17(16)14-18/h1-2,4,7-9,14H,3,5-6,10-13H2