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

Systemtic Name: 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-(4-indan-5-ylsulfonylpiperazin-1-yl)sulfonylbenzonitrile CAS Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-(4-indan-5-ylsulfonylpiperazino)sulfonylbenzonitrile Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S2/c21-15-16-4-7-19(8-5-16)28(24,25)22-10-12-23(13-11-22)29(26,27)20-9-6-17-2-1-3-18(17)14-20/h4-9,14H,1-3,10-13H2