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

Systemtic Name: 3-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-(4-indan-5-ylsulfonylpiperazine-1-carbonyl)benzonitrile CAS Name: 3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-(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=CC(=C4)C#N

Isomeric SMILES

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

InChI

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