N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-oxidanylidene-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide

Systemtic Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-oxidanylidene-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Openeye Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-oxo-6-(1-piperidylsulfonyl)-1H-quinoline-4-carboxamide CAS Name: N-[2-[4-(2-fluorophenyl)-1-piperazinyl]ethyl]-2-oxo-6-(1-piperidinylsulfonyl)-1H-quinoline-4-carboxamide IUPAC Name: N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-2-oxo-6-piperidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Traditional Name: N-[2-[4-(2-fluorophenyl)piperazino]ethyl]-2-keto-6-piperidinosulfonyl-1H-quinoline-4-carboxamide Formula: C27H32FN5O4S MolecularWeight: 541.637483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCN4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCN4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C27H32FN5O4S/c28-23-6-2-3-7-25(23)32-16-14-31(15-17-32)13-10-29-27(35)22-19-26(34)30-24-9-8-20(18-21(22)24)38(36,37)33-11-4-1-5-12-33/h2-3,6-9,18-19H,1,4-5,10-17H2,(H,29,35)(H,30,34)