6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-oxidanylidene-N-phenethyl-1H-quinoline-3-carboxamide

Systemtic Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-oxidanylidene-N-phenethyl-1H-quinoline-3-carboxamide Openeye Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-oxo-N-phenethyl-1H-quinoline-3-carboxamide CAS Name: 6-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-4-oxo-N-phenethyl-1H-quinoline-3-carboxamide IUPAC Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-oxo-N-phenethyl-1H-quinoline-3-carboxamide Traditional Name: 6-[4-(4-fluorophenyl)piperazino]sulfonyl-4-keto-N-phenethyl-1H-quinoline-3-carboxamide Formula: C28H27FN4O4S MolecularWeight: 534.601783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=C(C=C3)NC=C(C4=O)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C28H27FN4O4S/c29-21-6-8-22(9-7-21)32-14-16-33(17-15-32)38(36,37)23-10-11-26-24(18-23)27(34)25(19-31-26)28(35)30-13-12-20-4-2-1-3-5-20/h1-11,18-19H,12-17H2,(H,30,35)(H,31,34)