1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)quinoline-3-carbonitrile

Systemtic Name: 1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(2-thienylsulfonyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-3-quinolinecarbonitrile IUPAC Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)quinoline-3-carbonitrile Traditional Name: 1-(4-fluorobenzyl)-2-keto-4-[4-(2-thienylsulfonyl)piperazino]quinoline-3-carbonitrile Formula: C25H21FN4O3S2 MolecularWeight: 508.587643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)F)C#N)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)F)C#N)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H21FN4O3S2/c26-19-9-7-18(8-10-19)17-30-22-5-2-1-4-20(22)24(21(16-27)25(30)31)28-11-13-29(14-12-28)35(32,33)23-6-3-15-34-23/h1-10,15H,11-14,17H2