N-(3-fluorophenyl)-2-[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C23H28FN4O4S+ MolecularWeight: 475.556223

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C23H27FN4O4S/c1-33(31,32)28-9-3-4-17-14-18(7-8-21(17)28)23(30)27-12-10-26(11-13-27)16-22(29)25-20-6-2-5-19(24)15-20/h2,5-8,14-15H,3-4,9-13,16H2,1H3,(H,25,29)/p+1