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

Systemtic Name: 4-[4-(2,3-dihydro-1H-inden-5-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(indane-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2,3-dihydro-1H-inden-5-yl(oxo)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[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=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c22-15-16-4-8-20(9-5-16)28(26,27)24-12-10-23(11-13-24)21(25)19-7-6-17-2-1-3-18(17)14-19/h4-9,14H,1-3,10-13H2