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

Systemtic Name: 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-(4-indan-5-ylsulfonylpiperazine-1-carbonyl)benzonitrile CAS Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-(4-indan-5-ylsulfonylpiperazine-1-carbonyl)benzonitrile Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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