2-fluoranyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-(4-tetralin-6-ylsulfonylpiperazin-1-yl)benzonitrile CAS Name: 2-fluoro-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]benzonitrile Traditional Name: 2-fluoro-6-(4-tetralin-6-ylsulfonylpiperazino)benzonitrile Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N

InChI

InChI=1S/C21H22FN3O2S/c22-20-6-3-7-21(19(20)15-23)24-10-12-25(13-11-24)28(26,27)18-9-8-16-4-1-2-5-17(16)14-18/h3,6-9,14H,1-2,4-5,10-13H2