2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-7-methoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-7-methoxy-quinoline-3-carbonitrile Openeye Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-7-methoxy-quinoline-3-carbonitrile CAS Name: 2-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-7-methoxy-3-quinolinecarbonitrile IUPAC Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-7-methoxyquinoline-3-carbonitrile Traditional Name: 2-[4-(2-fluorophenyl)sulfonylpiperazino]-7-methoxy-quinoline-3-carbonitrile Formula: C21H19FN4O3S MolecularWeight: 426.463963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F)C#N

InChI

InChI=1S/C21H19FN4O3S/c1-29-17-7-6-15-12-16(14-23)21(24-19(15)13-17)25-8-10-26(11-9-25)30(27,28)20-5-3-2-4-18(20)22/h2-7,12-13H,8-11H2,1H3