2-[4-[(2-fluorophenyl)methylsulfonyl]-3-methyl-piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[(2-fluorophenyl)methylsulfonyl]-3-methyl-piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[(2-fluorophenyl)methylsulfonyl]-3-methyl-piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[(2-fluorophenyl)methylsulfonyl]-3-methyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[(2-fluorophenyl)methylsulfonyl]-3-methylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(2-fluorobenzyl)sulfonyl-3-methyl-piperazino]nicotinonitrile Formula: C18H19FN4O2S MolecularWeight: 374.432463

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)CC2=CC=CC=C2F)C3=C(C=CC=N3)C#N

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)CC2=CC=CC=C2F)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C18H19FN4O2S/c1-14-12-22(18-15(11-20)6-4-8-21-18)9-10-23(14)26(24,25)13-16-5-2-3-7-17(16)19/h2-8,14H,9-10,12-13H2,1H3