2-fluoranyl-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-(4-propylphenyl)sulfonylpiperazino]benzonitrile Formula: C20H22FN3O2S MolecularWeight: 387.470983

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C20H22FN3O2S/c1-2-4-16-7-9-17(10-8-16)27(25,26)24-13-11-23(12-14-24)20-6-3-5-19(21)18(20)15-22/h3,5-10H,2,4,11-14H2,1H3