5-fluoranyl-2-methyl-4-[4-(phenylsulfonyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 5-fluoranyl-2-methyl-4-[4-(phenylsulfonyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-fluoro-2-methyl-benzonitrile CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-5-fluoro-2-methylbenzonitrile IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-fluoro-2-methylbenzonitrile Traditional Name: 4-(4-besylpiperazino)-5-fluoro-2-methyl-benzonitrile Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#N)F)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1C#N)F)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18FN3O2S/c1-14-11-18(17(19)12-15(14)13-20)21-7-9-22(10-8-21)25(23,24)16-5-3-2-4-6-16/h2-6,11-12H,7-10H2,1H3